3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide

C16H22BrNO2 — CID 62407763

IUPAC3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C2CCCCC2)cc1Br
InChIInChI=1S/C16H22BrNO2/c1-11(12-6-4-3-5-7-12)18-16(19)13-8-9-15(20-2)14(17)10-13/h8-12H,3-7H2,1-2H3,(H,18,19)
InChIKeyUVTCGJKKMVEISR-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.16
Rot. Bonds4

About 3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide

3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide (PubChem CID 62407763) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide
PubChem CID62407763
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)C2CCCCC2)cc1Br
InChIInChI=1S/C16H22BrNO2/c1-11(12-6-4-3-5-7-12)18-16(19)13-8-9-15(20-2)14(17)10-13/h8-12H,3-7H2,1-2H3,(H,18,19)
InChIKeyUVTCGJKKMVEISR-UHFFFAOYSA-N
XLogP4.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopentylethyl)-3-hydroxy-4-methoxybenzamide
CID 79672563
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
CID 106737408
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
methyl (2S)-2-[(3-bromo-4-methoxybenzoyl)amino]propanoate
CID 47337375
4-bromo-N-(1-cyclohexylethyl)-3-nitrobenzamide
CID 62407561
4-bromo-N-(1-cyclobutylethyl)-3-fluorobenzamide
CID 115769071
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
2-[(3-bromo-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 43241906
3-bromo-N-but-3-yn-2-yl-4-methoxybenzamide
CID 114389789
3-bromo-N-(1-chloropropan-2-yl)-4-methoxybenzamide
CID 114299525
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine
CID 81393845

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide (CID 62407763) is 3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide is COc1ccc(C(=O)NC(C)C2CCCCC2)cc1Br.
What is the InChIKey of 3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide?
The InChIKey is UVTCGJKKMVEISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-11(12-6-4-3-5-7-12)18-16(19)13-8-9-15(20-2)14(17)10-13/h8-12H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide?
3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide has a molecular weight of 340.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide is sourced from PubChem (CID 62407763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).