4-chloro-3-(cyclohexylmethylamino)benzamide

C14H19ClN2O — CID 43679468

IUPAC4-chloro-3-(cyclohexylmethylamino)benzamide
SMILESNC(=O)c1ccc(Cl)c(NCC2CCCCC2)c1
InChIInChI=1S/C14H19ClN2O/c15-12-7-6-11(14(16)18)8-13(12)17-9-10-4-2-1-3-5-10/h6-8,10,17H,1-5,9H2,(H2,16,18)
InChIKeyXUHRZUUQLJUALW-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.43
Rot. Bonds4

About 4-chloro-3-(cyclohexylmethylamino)benzamide

4-chloro-3-(cyclohexylmethylamino)benzamide (PubChem CID 43679468) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 4-chloro-3-(cyclohexylmethylamino)benzamide.

Molecular Properties

Compound Name4-chloro-3-(cyclohexylmethylamino)benzamide
PubChem CID43679468
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name4-chloro-3-(cyclohexylmethylamino)benzamide
SMILESNC(=O)c1ccc(Cl)c(NCC2CCCCC2)c1
InChIInChI=1S/C14H19ClN2O/c15-12-7-6-11(14(16)18)8-13(12)17-9-10-4-2-1-3-5-10/h6-8,10,17H,1-5,9H2,(H2,16,18)
InChIKeyXUHRZUUQLJUALW-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(oxan-4-ylmethylamino)benzamide
CID 62386664
methyl 4-chloro-3-(cyclopentylmethylamino)benzoate
CID 63442225
4-amino-3-(cyclohexylmethylamino)benzoic acid
CID 82785208
methyl 4-chloro-3-[(1-methylpiperidin-3-yl)methylamino]benzoate
CID 62656913
4-(cyclobutylmethylamino)benzamide
CID 65459398
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
N-(5-carbamoyl-2-chlorophenyl)azepane-2-carboxamide
CID 64563989
4-methoxy-3-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659783
3-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-4-chlorobenzamide
CID 79511251
2-chloro-N-(cyclopentylmethyl)aniline
CID 61344994
4-chloro-3-(pentylamino)benzamide
CID 43679378
4-chloro-3-(thian-4-ylamino)benzamide
CID 43679588

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(cyclohexylmethylamino)benzamide?
The IUPAC name of 4-chloro-3-(cyclohexylmethylamino)benzamide (CID 43679468) is 4-chloro-3-(cyclohexylmethylamino)benzamide.
What is the SMILES notation for 4-chloro-3-(cyclohexylmethylamino)benzamide?
The canonical SMILES for 4-chloro-3-(cyclohexylmethylamino)benzamide is NC(=O)c1ccc(Cl)c(NCC2CCCCC2)c1.
What is the InChIKey of 4-chloro-3-(cyclohexylmethylamino)benzamide?
The InChIKey is XUHRZUUQLJUALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c15-12-7-6-11(14(16)18)8-13(12)17-9-10-4-2-1-3-5-10/h6-8,10,17H,1-5,9H2,(H2,16,18).
What are the key properties of 4-chloro-3-(cyclohexylmethylamino)benzamide?
4-chloro-3-(cyclohexylmethylamino)benzamide has a molecular weight of 266.77 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(cyclohexylmethylamino)benzamide is sourced from PubChem (CID 43679468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).