2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide

C20H19ClF3N3O2 — CID 123284385

IUPAC2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide
SMILESO=CN(c1cncc(F)c1)C(C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl
InChIInChI=1S/C20H19ClF3N3O2/c21-17-4-2-1-3-16(17)18(27(12-28)15-9-13(22)10-25-11-15)19(29)26-14-5-7-20(23,24)8-6-14/h1-4,9-12,14,18H,5-8H2,(H,26,29)
InChIKeyYMRGQIHAYWMBEY-UHFFFAOYSA-N
MW425.84 g/mol
LogP4.27
Rot. Bonds6

About 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide

2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide (PubChem CID 123284385) has the molecular formula C20H19ClF3N3O2 and a molecular weight of 425.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide
PubChem CID123284385
Molecular FormulaC20H19ClF3N3O2
Molecular Weight425.84 g/mol
Exact Mass425.11
IUPAC Name2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide
SMILESO=CN(c1cncc(F)c1)C(C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl
InChIInChI=1S/C20H19ClF3N3O2/c21-17-4-2-1-3-16(17)18(27(12-28)15-9-13(22)10-25-11-15)19(29)26-14-5-7-20(23,24)8-6-14/h1-4,9-12,14,18H,5-8H2,(H,26,29)
InChIKeyYMRGQIHAYWMBEY-UHFFFAOYSA-N
XLogP4.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]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-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-N-(5-fluoro-3-pyridinyl)-5-oxopyrrolidine-2-carboxamide
CID 123255183
2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one
CID 144779563
[[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-(5-fluoro-3-pyridinyl)amino]-[1-(4-cyano-2-pyridinyl)-5-oxopyrrolidin-2-yl]-oxoazanium
CID 123588285
N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-3-(4-cyano-2-pyridinyl)-N-(5-fluoro-3-pyridinyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 78140514
(2S)-N-[1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-5-oxo-1-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 137424076
(2S,5S)-N-[(1S)-1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-5-methyl-1-pyrimidin-2-ylpyrrolidine-2-carboxamide;sulfane
CID 161012090
(2S)-N-[(1R)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 135212486
(2S)-N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 135212507
2-(4-tert-butyl-3-fluoro-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-(5-fluoro-3-pyridinyl)acetamide
CID 156893725
(3S)-N-[(1R)-1-(2-chlorophenyl)-2-[(4,4-difluorocyclohexyl)amino]-2-oxoethyl]-2-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
CID 142748795
N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-pyrimidin-2-ylazetidine-2-carboxamide
CID 123151084
N-(4,4-difluorocyclohexyl)-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
CID 123763803

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide (CID 123284385) is 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide is O=CN(c1cncc(F)c1)C(C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide?
The InChIKey is YMRGQIHAYWMBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3O2/c21-17-4-2-1-3-16(17)18(27(12-28)15-9-13(22)10-25-11-15)19(29)26-14-5-7-20(23,24)8-6-14/h1-4,9-12,14,18H,5-8H2,(H,26,29).
What are the key properties of 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide?
2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide has a molecular weight of 425.84 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(4,4-difluorocyclohexyl)-2-[(5-fluoro-3-pyridinyl)-formylamino]acetamide is sourced from PubChem (CID 123284385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).