4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide

C14H18ClNO2 — CID 13427946

IUPAC4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c15-12-7-5-10(6-8-12)14(18)16-9-11-3-1-2-4-13(11)17/h5-8,11,13,17H,1-4,9H2,(H,16,18)
InChIKeyHHWJWZDXMPWHDE-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.62
Rot. Bonds3

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

4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide (PubChem CID 13427946) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
PubChem CID13427946
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
SMILESO=C(NCC1CCCCC1O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c15-12-7-5-10(6-8-12)14(18)16-9-11-3-1-2-4-13(11)17/h5-8,11,13,17H,1-4,9H2,(H,16,18)
InChIKeyHHWJWZDXMPWHDE-UHFFFAOYSA-N
XLogP2.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
3-chloro-N-[(2-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103736731
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 64929504
2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
CID 99855973
6-bromo-N-[(2-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 115283344
2-chloro-N-[(2-hydroxycyclohexyl)methyl]-5-sulfanylbenzamide
CID 107031032
2,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 106993969
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 40617766
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)benzamide
CID 99606006

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide (CID 13427946) is 4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide is O=C(NCC1CCCCC1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is HHWJWZDXMPWHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-7-5-10(6-8-12)14(18)16-9-11-3-1-2-4-13(11)17/h5-8,11,13,17H,1-4,9H2,(H,16,18).
What are the key properties of 4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide?
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 267.76 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 13427946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).