2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide

C19H25ClN4O2 — CID 47064262

IUPAC2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NCC(=O)NC2(C#N)CCCC2)cc1Cl
InChIInChI=1S/C19H25ClN4O2/c1-13(2)10-23-18(26)15-6-5-14(9-16(15)20)22-11-17(25)24-19(12-21)7-3-4-8-19/h5-6,9,13,22H,3-4,7-8,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyQYBPSLFRDWLUFY-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.09
Rot. Bonds7

About 2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide

2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 47064262) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID47064262
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(NCC(=O)NC2(C#N)CCCC2)cc1Cl
InChIInChI=1S/C19H25ClN4O2/c1-13(2)10-23-18(26)15-6-5-14(9-16(15)20)22-11-17(25)24-19(12-21)7-3-4-8-19/h5-6,9,13,22H,3-4,7-8,10-11H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyQYBPSLFRDWLUFY-UHFFFAOYSA-N
XLogP3.09
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-5-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]amino]benzoate
CID 37230490
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
CID 37479013
2-(4-chloro-3-nitroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 37478786
2-chloro-4-[(4-cyano-4-methylpentyl)amino]-N-(2-methylpropyl)benzamide
CID 75378798
N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898568
N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide
CID 33005767
4-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110474001
N-(1-cyanocyclohexyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877972
N-(1-cyanocyclopentyl)-2-[1-(2,4-dichlorophenyl)ethylamino]acetamide
CID 4806223
N-(1-cyanocyclohexyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586094

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide (CID 47064262) is 2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(NCC(=O)NC2(C#N)CCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is QYBPSLFRDWLUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-13(2)10-23-18(26)15-6-5-14(9-16(15)20)22-11-17(25)24-19(12-21)7-3-4-8-19/h5-6,9,13,22H,3-4,7-8,10-11H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide?
2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 376.89 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 47064262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).