1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride

C16H23Cl2N3O2 — CID 119309067

IUPAC1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)CNC(=O)C2(N)CCCCC2)c(Cl)c1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-11-5-6-13(12(17)9-11)20-14(21)10-19-15(22)16(18)7-3-2-4-8-16;/h5-6,9H,2-4,7-8,10,18H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyALCMVHIUWGPQOF-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.79
Rot. Bonds4

About 1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119309067) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119309067
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)CNC(=O)C2(N)CCCCC2)c(Cl)c1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-11-5-6-13(12(17)9-11)20-14(21)10-19-15(22)16(18)7-3-2-4-8-16;/h5-6,9H,2-4,7-8,10,18H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyALCMVHIUWGPQOF-UHFFFAOYSA-N
XLogP2.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride 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

2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79851100
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
1-amino-N-[2-(2,5-dichloroanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119683786
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
2-(azocan-1-ium-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 8583722
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015508
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119762937
1-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide;hydrochloride
CID 119311030
2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 61159058
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119309067) is 1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride is Cc1ccc(NC(=O)CNC(=O)C2(N)CCCCC2)c(Cl)c1.Cl.
What is the InChIKey of 1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ALCMVHIUWGPQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.ClH/c1-11-5-6-13(12(17)9-11)20-14(21)10-19-15(22)16(18)7-3-2-4-8-16;/h5-6,9H,2-4,7-8,10,18H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of 1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119309067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).