3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

C16H23Cl2N3O2 — CID 119732546

IUPAC3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-20(16(22)11-4-2-6-13(18)8-11)10-15(21)19-14-7-3-5-12(17)9-14;/h3,5,7,9,11,13H,2,4,6,8,10,18H2,1H3,(H,19,21);1H
InChIKeyWDYFBLKDPMZZFN-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.68
Rot. Bonds4

About 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119732546) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119732546
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-20(16(22)11-4-2-6-13(18)8-11)10-15(21)19-14-7-3-5-12(17)9-14;/h3,5,7,9,11,13H,2,4,6,8,10,18H2,1H3,(H,19,21);1H
InChIKeyWDYFBLKDPMZZFN-UHFFFAOYSA-N
XLogP2.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719168
3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119684097
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55654055
1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119294398
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119294376
3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62775426
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylcyclobutanecarboxamide
CID 7719861
(3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide
CID 99787391
(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294392
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 63045904

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (CID 119732546) is 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is WDYFBLKDPMZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.ClH/c1-20(16(22)11-4-2-6-13(18)8-11)10-15(21)19-14-7-3-5-12(17)9-14;/h3,5,7,9,11,13H,2,4,6,8,10,18H2,1H3,(H,19,21);1H.
What are the key properties of 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119732546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).