UT-155

CAT: 0926-GGD16135-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-GGD16135-02Size:25 mg

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CAS Number

2031161-35-8

MDL Number

MFCD31746902

Smiles

CC (CN1C=CC2=C1C=CC (=C2) F) (C (=O) NC3=CC (=C (C=C3) C#N) C (F) (F) F) O

Molecular Formula

C20H15F4N3O2

Molecular Weight

405.3 g/mol

Controlled

Chemical Information

(S)-N-(4-cyano-3-(trifluoromethyl)phenyl)-3-(5-fluoro-1H-indol-1-yl)-2-hydroxy-2-methylpropanamide

CAS Number	2031161-35-8
PubChem CID	122640156
IUPAC Name	(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(5-fluoroindol-1-yl)-2-hydroxy-2-methylpropanamide
Molecular Formula	C20H15F4N3O2
Molecular Weight	405.3
XLogP	3.1
Topological Polar Surface Area	78.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	664

SMILES

C[C@](CN1C=CC2=C1C=CC(=C2)F)(C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F)O

InChI

InChI=1S/C20H15F4N3O2/c1-19(29,11-27-7-6-12-8-14(21)3-5-17(12)27)18(28)26-15-4-2-13(10-25)16(9-15)20(22,23)24/h2-9,29H,11H2,1H3,(H,26,28)/t19-/m0/s1

InChIKey

CFSAYQVTXBMPRF-IBGZPJMESA-N

Chemical Structure

2D Structure

CAS: 2031161-35-8

CID: 122640156

Formula: C20H15F4N3O2

MW: 405.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	405.3
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	405.11003938
Monoisotopic Mass	405.11003938
Topological Polar Surface Area	78.1 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	664
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
EZB65222-01	HA 155
KBA85494-01	PBDE 155
PWB46205	TG4-155
JCA26108-01	PBB 155
FP164826-01	Pigment yellow 155
FPA40609-01	YM-155 HCl
PI17016-01	Influenza NP (147-155)
FC108831-01	Cys-CD36 (139-155) trifluoroacetate salt
FA109076-01	Amyloid beta/A4 Protein Precursor770 (135-155)
CRB1001751-01	Biotin-Influenza A NP (147-155) (H-2Kd)