3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide

C21H22Cl2N2O2 — CID 17133511

IUPAC3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide
SMILESCN(C(=O)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C21H22Cl2N2O2/c1-25(17-7-3-2-4-8-17)21(27)18-9-5-6-10-19(18)24-20(26)14-11-15(22)13-16(23)12-14/h5-6,9-13,17H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyIOQKOSLQIQORRL-UHFFFAOYSA-N
MW405.33 g/mol
LogP5.65
Rot. Bonds4

About 3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide

3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide (PubChem CID 17133511) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide
PubChem CID17133511
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide
SMILESCN(C(=O)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C21H22Cl2N2O2/c1-25(17-7-3-2-4-8-17)21(27)18-9-5-6-10-19(18)24-20(26)14-11-15(22)13-16(23)12-14/h5-6,9-13,17H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyIOQKOSLQIQORRL-UHFFFAOYSA-N
XLogP5.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 4938871
N-cyclohexyl-2-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 4938931
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4955039
N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4948334
3,5-dichloro-N-[2-(ethylcarbamoyl)phenyl]benzamide
CID 17133523
N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide
CID 4939111
2-chloro-N-cycloheptyl-N-methylpyridine-3-carboxamide
CID 43409219
2-benzamido-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552674
5-bromo-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 17351509
N-cyclohexyl-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 4938970
(3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide
CID 94653786

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide (CID 17133511) is 3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide is CN(C(=O)c1ccccc1NC(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1.
What is the InChIKey of 3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide?
The InChIKey is IOQKOSLQIQORRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c1-25(17-7-3-2-4-8-17)21(27)18-9-5-6-10-19(18)24-20(26)14-11-15(22)13-16(23)12-14/h5-6,9-13,17H,2-4,7-8H2,1H3,(H,24,26).
What are the key properties of 3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide?
3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide has a molecular weight of 405.33 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 17133511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).