(2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide

C20H22ClF2N3O — CID 175462705

IUPAC(2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide
SMILESCc1nccc(Cl)c1-c1ccc(NC(=O)[C@@H](N)[C@H]2CCCC(F)(F)C2)cc1
InChIInChI=1S/C20H22ClF2N3O/c1-12-17(16(21)8-10-25-12)13-4-6-15(7-5-13)26-19(27)18(24)14-3-2-9-20(22,23)11-14/h4-8,10,14,18H,2-3,9,11,24H2,1H3,(H,26,27)/t14-,18-/m0/s1
InChIKeyHCROXVDGJQZKOQ-KSSFIOAISA-N
MW393.87 g/mol
LogP4.80
Rot. Bonds4

About (2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide

(2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide (PubChem CID 175462705) has the molecular formula C20H22ClF2N3O and a molecular weight of 393.87 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide
PubChem CID175462705
Molecular FormulaC20H22ClF2N3O
Molecular Weight393.87 g/mol
Exact Mass393.14
IUPAC Name(2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide
SMILESCc1nccc(Cl)c1-c1ccc(NC(=O)[C@@H](N)[C@H]2CCCC(F)(F)C2)cc1
InChIInChI=1S/C20H22ClF2N3O/c1-12-17(16(21)8-10-25-12)13-4-6-15(7-5-13)26-19(27)18(24)14-3-2-9-20(22,23)11-14/h4-8,10,14,18H,2-3,9,11,24H2,1H3,(H,26,27)/t14-,18-/m0/s1
InChIKeyHCROXVDGJQZKOQ-KSSFIOAISA-N
XLogP4.80
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-(4-chloro-2-methyl-3-pyridinyl)anilino]-1-[(1S)-3,3-difluorocyclohexyl]-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide
CID 170425359
(2S)-2-amino-2-cyclopentyl-N-[4-(2,4-dimethyl-3-pyridinyl)phenyl]acetamide
CID 175462730
(2S)-2-amino-2-[(1S)-3,3-difluorocyclohexyl]-N-[4-[2-methyl-1-oxido-4-(trifluoromethyl)pyridin-1-ium-3-yl]phenyl]acetamide
CID 163275733
(2S)-2-amino-2-cyclohexyl-N-[4-(3,5-dimethyl-4-pyridinyl)phenyl]acetamide
CID 163275805
N-[(1S)-1-[(1S)-3,3-difluorocyclohexyl]-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 156779252
2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride
CID 154944128
2-acetyl-N-[2-[4-(4-chloro-2-methyl-3-pyridinyl)anilino]-1-cyclohexyl-2-oxoethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170425408
2-amino-N-[4-(4-chloro-2-methyl-1-oxidopyridin-1-ium-3-yl)phenyl]-2-[(1R,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetamide;hydrochloride
CID 170425442
N-[1-(4,4-difluorocyclohexyl)-2-[4-(2,4-dimethyl-3-pyridinyl)anilino]-2-oxoethyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170425387
(2S)-2-amino-N-[4-[1-benzyl-5-(1-hydroxyethyl)-3-methylpyrazol-4-yl]phenyl]-2-cyclohexylacetamide;hydrochloride
CID 154944167
N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
CID 167148821
tert-butyl N-[(1S)-1-cyclopentyl-2-[4-[2-methyl-4-(trifluoromethyl)-3-pyridinyl]anilino]-2-oxoethyl]carbamate
CID 175462719

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide?
The IUPAC name of (2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide (CID 175462705) is (2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide?
The canonical SMILES for (2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide is Cc1nccc(Cl)c1-c1ccc(NC(=O)[C@@H](N)[C@H]2CCCC(F)(F)C2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide?
The InChIKey is HCROXVDGJQZKOQ-KSSFIOAISA-N. The full InChI is InChI=1S/C20H22ClF2N3O/c1-12-17(16(21)8-10-25-12)13-4-6-15(7-5-13)26-19(27)18(24)14-3-2-9-20(22,23)11-14/h4-8,10,14,18H,2-3,9,11,24H2,1H3,(H,26,27)/t14-,18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide?
(2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide has a molecular weight of 393.87 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(4-chloro-2-methyl-3-pyridinyl)phenyl]-2-[(1S)-3,3-difluorocyclohexyl]acetamide is sourced from PubChem (CID 175462705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).