2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide

C17H22Cl2N2O2 — CID 55739288

IUPAC2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCC1CCC(NC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O2/c1-10-6-8-12(9-7-10)21-16(22)11(2)20-17(23)13-4-3-5-14(18)15(13)19/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyCJNCDFJKLXWEAD-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.81
Rot. Bonds4

About 2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 55739288) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID55739288
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
SMILESCC1CCC(NC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O2/c1-10-6-8-12(9-7-10)21-16(22)11(2)20-17(23)13-4-3-5-14(18)15(13)19/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyCJNCDFJKLXWEAD-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(2R)-3-methyl-1-[(4-methylcyclohexyl)amino]-1-oxobutan-2-yl]benzamide
CID 51865236
N-[1-[[2-(aminomethyl)cyclohexyl]amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119611965
2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55838422
2-chloro-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 106687186
2,3-dichloro-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]benzamide
CID 55852819
3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
CID 114100333
2,3-dichloro-N-[1-[(4-hydroxypyrrolidin-3-yl)methylamino]-1-oxopropan-2-yl]benzamide
CID 120947349
N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]naphthalene-1-carboxamide
CID 95160649
N-[1-[(1-amino-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119588241
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119412842
tert-butyl (2R)-2-[(2,3-dichlorobenzoyl)amino]propanoate
CID 81003606
(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide (CID 55739288) is 2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide is CC1CCC(NC(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is CJNCDFJKLXWEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-10-6-8-12(9-7-10)21-16(22)11(2)20-17(23)13-4-3-5-14(18)15(13)19/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 357.28 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55739288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).