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

C16H23Cl2N3O2 — CID 119294398

IUPAC1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-20(15(22)16(18)8-3-2-4-9-16)11-14(21)19-13-7-5-6-12(17)10-13;/h5-7,10H,2-4,8-9,11,18H2,1H3,(H,19,21);1H
InChIKeyLCNLITMJAHXTCW-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.82
Rot. Bonds4

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

1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119294398) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119294398
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
SMILESCN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1(N)CCCCC1.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-20(15(22)16(18)8-3-2-4-9-16)11-14(21)19-13-7-5-6-12(17)10-13;/h5-7,10H,2-4,8-9,11,18H2,1H3,(H,19,21);1H
InChIKeyLCNLITMJAHXTCW-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294392
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119732546
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
4-amino-N-(2-anilino-2-oxoethyl)-N-methyloxane-4-carboxamide
CID 115294277
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925548
(1-aminocyclohexyl)methyl N-(3-chlorophenyl)carbamate
CID 79337748
1-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]cyclopentane-1-carboxamide
CID 119291391
1-amino-N-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-methylcyclohexane-1-carboxamide
CID 119875009
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 38623146
3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide
CID 64892555

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride (CID 119294398) is 1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is CN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1(N)CCCCC1.Cl.
What is the InChIKey of 1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LCNLITMJAHXTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.ClH/c1-20(15(22)16(18)8-3-2-4-9-16)11-14(21)19-13-7-5-6-12(17)10-13;/h5-7,10H,2-4,8-9,11,18H2,1H3,(H,19,21);1H.
What are the key properties of 1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119294398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).