3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide

C14H19ClN2O2 — CID 102664438

IUPAC3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC2CCCCC2O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-11-7-9(14(16)19)5-6-10(11)8-17-12-3-1-2-4-13(12)18/h5-7,12-13,17-18H,1-4,8H2,(H2,16,19)
InChIKeyVSBQAKHGEZKPFF-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.83
Rot. Bonds4

About 3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide

3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide (PubChem CID 102664438) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide
PubChem CID102664438
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNC2CCCCC2O)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-11-7-9(14(16)19)5-6-10(11)8-17-12-3-1-2-4-13(12)18/h5-7,12-13,17-18H,1-4,8H2,(H2,16,19)
InChIKeyVSBQAKHGEZKPFF-UHFFFAOYSA-N
XLogP1.83
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide
CID 102664681
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472
3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 106133041
3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide
CID 102665133
4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
CID 102665063
3-chloro-N'-hydroxy-4-[[(2-methylcyclopentyl)amino]methyl]benzenecarboximidamide
CID 102667145
2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
CID 113394727
5-[[(2-hydroxycyclopentyl)amino]methyl]thiophene-3-carboxamide
CID 115735693
2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide
CID 102665002

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide (CID 102664438) is 3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide is NC(=O)c1ccc(CNC2CCCCC2O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide?
The InChIKey is VSBQAKHGEZKPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-7-9(14(16)19)5-6-10(11)8-17-12-3-1-2-4-13(12)18/h5-7,12-13,17-18H,1-4,8H2,(H2,16,19).
What are the key properties of 3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide?
3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide has a molecular weight of 282.77 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide is sourced from PubChem (CID 102664438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).