ZINC00640089

CAT: 0607-BA8673-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8673-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

667880-11-7

Form

A solid

Molecular Formula

C20H13F3N2O2

Molecular Weight

370.32

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

2-(2-oxobenzo[cd]indol-1(2H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

CAS Number	667880-11-7
PubChem CID	989246
IUPAC Name	2-(2-oxobenzo[cd]indol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
Molecular Formula	C20H13F3N2O2
Molecular Weight	370.3
XLogP	4.1
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	594

SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CN2C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C20H13F3N2O2/c21-20(22,23)14-8-1-2-9-15(14)24-17(26)11-25-16-10-4-6-12-5-3-7-13(18(12)16)19(25)27/h1-10H,11H2,(H,24,26)

InChIKey

BJLGMVSRCCPPDE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 667880-11-7

CID: 989246

Formula: C20H13F3N2O2

MW: 370.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	370.3
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	370.09291215
Monoisotopic Mass	370.09291215
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	594
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
C15126-100mg	ZINC00640089