4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide

C15H19BrClNO2 — CID 65119782

IUPAC4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
SMILESCC1CCC(O)(CNC(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H19BrClNO2/c1-10-4-6-15(20,7-5-10)9-18-14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,20H,4-7,9H2,1H3,(H,18,19)
InChIKeyHFYZJHVREFSQKU-UHFFFAOYSA-N
MW360.68 g/mol
LogP3.77
Rot. Bonds3

About 4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide

4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide (PubChem CID 65119782) has the molecular formula C15H19BrClNO2 and a molecular weight of 360.68 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
PubChem CID65119782
Molecular FormulaC15H19BrClNO2
Molecular Weight360.68 g/mol
Exact Mass359.03
IUPAC Name4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
SMILESCC1CCC(O)(CNC(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H19BrClNO2/c1-10-4-6-15(20,7-5-10)9-18-14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,20H,4-7,9H2,1H3,(H,18,19)
InChIKeyHFYZJHVREFSQKU-UHFFFAOYSA-N
XLogP3.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892
5-chloro-2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119441
2,5-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-3-carboxamide
CID 107962266
3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide
CID 65119535
2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65117541
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
4-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65119775
N-[(1-aminocyclohexyl)methyl]-4-bromo-2-chlorobenzamide
CID 119404679
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 80642461

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide (CID 65119782) is 4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide is CC1CCC(O)(CNC(=O)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The InChIKey is HFYZJHVREFSQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO2/c1-10-4-6-15(20,7-5-10)9-18-14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,20H,4-7,9H2,1H3,(H,18,19).
What are the key properties of 4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide has a molecular weight of 360.68 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 65119782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).