(2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide

C19H14ClF2N5O — CID 166456827

IUPAC(2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide
SMILESN#Cc1ccc([C@H](C(=O)Nc2cnc(Cl)cn2)[C@@H]2CCC(F)(F)C2)cc1C#N
InChIInChI=1S/C19H14ClF2N5O/c20-15-9-26-16(10-25-15)27-18(28)17(12-3-4-19(21,22)6-12)11-1-2-13(7-23)14(5-11)8-24/h1-2,5,9-10,12,17H,3-4,6H2,(H,26,27,28)/t12-,17+/m1/s1
InChIKeyWTXRJZBNJDFXLY-PXAZEXFGSA-N
MW401.80 g/mol
LogP4.03
Rot. Bonds4

About (2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide

(2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide (PubChem CID 166456827) has the molecular formula C19H14ClF2N5O and a molecular weight of 401.80 g/mol. Its IUPAC name is (2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide.

Molecular Properties

Compound Name(2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide
PubChem CID166456827
Molecular FormulaC19H14ClF2N5O
Molecular Weight401.80 g/mol
Exact Mass401.09
IUPAC Name(2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide
SMILESN#Cc1ccc([C@H](C(=O)Nc2cnc(Cl)cn2)[C@@H]2CCC(F)(F)C2)cc1C#N
InChIInChI=1S/C19H14ClF2N5O/c20-15-9-26-16(10-25-15)27-18(28)17(12-3-4-19(21,22)6-12)11-1-2-13(7-23)14(5-11)8-24/h1-2,5,9-10,12,17H,3-4,6H2,(H,26,27,28)/t12-,17+/m1/s1
InChIKeyWTXRJZBNJDFXLY-PXAZEXFGSA-N
XLogP4.03
TPSA102.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3,4-dicyanophenyl)-2-[(1S)-3,3-difluorocyclopentyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 166456590
N-(6-chloropyridazin-3-yl)-2-(3,5-dicyanophenyl)-2-(3,3-difluorocyclopentyl)acetamide
CID 166456654
N-(6-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-[(Z)-N'-(methylamino)carbamimidoyl]phenyl]acetamide
CID 167286794
N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456724
N-(5-chloropyrazin-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 107595812
N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456660
(2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456823
2-[4-[(Z)-N'-[amino(difluoromethyl)amino]carbamimidoyl]phenyl]-N-(5-chloro-1,3-thiazol-2-yl)-2-(3,3-difluorocyclopentyl)acetamide
CID 166456630
N-(5-chloropyrazin-2-yl)-4-propan-2-ylbenzamide
CID 104964161
2-[4-[(Z)-N'-[amino(methyl)amino]carbamimidoyl]phenyl]-2-(3,3-difluorocyclopentyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 167286862
2-[4-[[amino-[(Z)-aminomethylideneamino]amino]methyl]phenyl]-N-(5-chloro-1,3-thiazol-2-yl)-2-(3,3-difluorocyclopentyl)acetamide
CID 167286893
(2S)-2-(3,3-difluorocyclopentyl)-2-phenylacetic acid
CID 142025460

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide?
The IUPAC name of (2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide (CID 166456827) is (2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide.
What is the SMILES notation for (2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide?
The canonical SMILES for (2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide is N#Cc1ccc([C@H](C(=O)Nc2cnc(Cl)cn2)[C@@H]2CCC(F)(F)C2)cc1C#N.
What is the InChIKey of (2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide?
The InChIKey is WTXRJZBNJDFXLY-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H14ClF2N5O/c20-15-9-26-16(10-25-15)27-18(28)17(12-3-4-19(21,22)6-12)11-1-2-13(7-23)14(5-11)8-24/h1-2,5,9-10,12,17H,3-4,6H2,(H,26,27,28)/t12-,17+/m1/s1.
What are the key properties of (2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide?
(2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide has a molecular weight of 401.80 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide is sourced from PubChem (CID 166456827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).