3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide

C15H21ClN2O2 — CID 106133041

IUPAC3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCC2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c16-14-7-11(15(17)20)3-4-12(14)9-18-8-10-1-5-13(19)6-2-10/h3-4,7,10,13,18-19H,1-2,5-6,8-9H2,(H2,17,20)
InChIKeyDKWXBPOKIKUGIB-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.08
Rot. Bonds5

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

3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide (PubChem CID 106133041) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide
PubChem CID106133041
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCC2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c16-14-7-11(15(17)20)3-4-12(14)9-18-8-10-1-5-13(19)6-2-10/h3-4,7,10,13,18-19H,1-2,5-6,8-9H2,(H2,17,20)
InChIKeyDKWXBPOKIKUGIB-UHFFFAOYSA-N
XLogP2.08
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide
CID 102664438
4-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)methyl]-3-chlorobenzamide
CID 102664711
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132
4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
CID 102665063
3-chloro-4-[(3-propoxypropylamino)methyl]benzamide
CID 102664947
4-[(but-3-ynylamino)methyl]-3-chlorobenzamide
CID 102664571
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide
CID 102665048
4-[[(4-chloro-2-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147064
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide
CID 102664681

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide (CID 106133041) is 3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide is NC(=O)c1ccc(CNCC2CCC(O)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide?
The InChIKey is DKWXBPOKIKUGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c16-14-7-11(15(17)20)3-4-12(14)9-18-8-10-1-5-13(19)6-2-10/h3-4,7,10,13,18-19H,1-2,5-6,8-9H2,(H2,17,20).
What are the key properties of 3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide?
3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide has a molecular weight of 296.80 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide is sourced from PubChem (CID 106133041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).