CCG-222740

CAT: 0607-BA4481-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4481-25Size:25 mg

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

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CAS Number

1922098-69-8

Form

A solid

Molecular Formula

C23H19ClF2N2O3

Molecular Weight

444.86

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

N-(4-chlorophenyl)-5,5-difluoro-1-(3-(furan-2-yl)benzoyl)piperidine-3-carboxamide

CAS Number	1922098-69-8
PubChem CID	121317937
IUPAC Name	N-(4-chlorophenyl)-5,5-difluoro-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide
Molecular Formula	C23H19ClF2N2O3
Molecular Weight	444.9
XLogP	4.4
Topological Polar Surface Area	62.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	657

SMILES

C1C(CN(CC1(F)F)C(=O)C2=CC=CC(=C2)C3=CC=CO3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19ClF2N2O3/c24-18-6-8-19(9-7-18)27-21(29)17-12-23(25,26)14-28(13-17)22(30)16-4-1-3-15(11-16)20-5-2-10-31-20/h1-11,17H,12-14H2,(H,27,29)

InChIKey

PMTPYUTZAJWGPE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1922098-69-8

CID: 121317937

Formula: C23H19ClF2N2O3

MW: 444.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	444.9
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	444.1052265
Monoisotopic Mass	444.1052265
Topological Polar Surface Area	62.6 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	657
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes