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

C15H20ClNO2 — CID 106124243

IUPAC2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-10-2-7-13(14(16)8-10)15(19)17-9-11-3-5-12(18)6-4-11/h2,7-8,11-12,18H,3-6,9H2,1H3,(H,17,19)
InChIKeyBHNBERZHYUSXPW-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.93
Rot. Bonds3

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

2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide (PubChem CID 106124243) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
PubChem CID106124243
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2CCC(O)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-10-2-7-13(14(16)8-10)15(19)17-9-11-3-5-12(18)6-4-11/h2,7-8,11-12,18H,3-6,9H2,1H3,(H,17,19)
InChIKeyBHNBERZHYUSXPW-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279853
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-nitrobenzamide
CID 106122720
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
2-chloro-N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 99832914
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
4-bromo-2-chloro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006638
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 103279879
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
3,4-dichloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106122138
N-[(4-hydroxycyclohexyl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 114146362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide (CID 106124243) is 2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2CCC(O)CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide?
The InChIKey is BHNBERZHYUSXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-10-2-7-13(14(16)8-10)15(19)17-9-11-3-5-12(18)6-4-11/h2,7-8,11-12,18H,3-6,9H2,1H3,(H,17,19).
What are the key properties of 2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide?
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide has a molecular weight of 281.78 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 106124243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).