3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide

C13H15BrClNO2 — CID 110021575

IUPAC3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCCCC1O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H15BrClNO2/c14-9-5-3-4-8(12(9)15)13(18)16-10-6-1-2-7-11(10)17/h3-5,10-11,17H,1-2,6-7H2,(H,16,18)
InChIKeyRWBKNGVGKPUESJ-UHFFFAOYSA-N
MW332.63 g/mol
LogP3.14
Rot. Bonds2

About 3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide

3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide (PubChem CID 110021575) has the molecular formula C13H15BrClNO2 and a molecular weight of 332.63 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
PubChem CID110021575
Molecular FormulaC13H15BrClNO2
Molecular Weight332.63 g/mol
Exact Mass331.00
IUPAC Name3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide
SMILESO=C(NC1CCCCC1O)c1cccc(Br)c1Cl
InChIInChI=1S/C13H15BrClNO2/c14-9-5-3-4-8(12(9)15)13(18)16-10-6-1-2-7-11(10)17/h3-5,10-11,17H,1-2,6-7H2,(H,16,18)
InChIKeyRWBKNGVGKPUESJ-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-3-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 104956755
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
3-bromo-2-chloro-N-(2-methylcyclopropyl)benzamide
CID 103989531
3-bromo-2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 113363104
2-[[(1S,2S)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415090
2-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]benzoic acid
CID 94415091
2-bromo-N-(2-chlorocyclohexyl)benzamide
CID 114301050
3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
CID 114100333
N-[(2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 6709814
N-(2-hydroxycyclohexyl)-2-iodobenzamide
CID 62365410
2,4-dibromo-N-(2-hydroxycycloheptyl)benzamide
CID 107939682
3-amino-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 45086848

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide (CID 110021575) is 3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide is O=C(NC1CCCCC1O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide?
The InChIKey is RWBKNGVGKPUESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO2/c14-9-5-3-4-8(12(9)15)13(18)16-10-6-1-2-7-11(10)17/h3-5,10-11,17H,1-2,6-7H2,(H,16,18).
What are the key properties of 3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide?
3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide has a molecular weight of 332.63 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 110021575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).