3-bromo-5-methoxy-N-propan-2-ylbenzamide

C11H14BrNO2 — CID 138985588

IUPAC3-bromo-5-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(Br)cc(C(=O)NC(C)C)c1
InChIInChI=1S/C11H14BrNO2/c1-7(2)13-11(14)8-4-9(12)6-10(5-8)15-3/h4-7H,1-3H3,(H,13,14)
InChIKeyJNNUIMMKCIPZCZ-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.60
Rot. Bonds3

About 3-bromo-5-methoxy-N-propan-2-ylbenzamide

3-bromo-5-methoxy-N-propan-2-ylbenzamide (PubChem CID 138985588) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-propan-2-ylbenzamide
PubChem CID138985588
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name3-bromo-5-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cc(Br)cc(C(=O)NC(C)C)c1
InChIInChI=1S/C11H14BrNO2/c1-7(2)13-11(14)8-4-9(12)6-10(5-8)15-3/h4-7H,1-3H3,(H,13,14)
InChIKeyJNNUIMMKCIPZCZ-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-bromo-3-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 114316286
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 107868799
3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide
CID 103908423
3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide
CID 138025994
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
2-amino-1-(3-bromo-5-methoxyphenyl)ethanone
CID 83720839
2-[(3-bromo-5-propan-2-yloxybenzoyl)amino]butanoic acid
CID 119223842
N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide
CID 63931261
diethyl 2-[(3,5-dimethoxybenzoyl)amino]propanedioate
CID 33240158
methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate
CID 85159268
(2S)-2-[(3,5-dimethoxybenzoyl)amino]butanoic acid
CID 42255068
3-bromo-1-(3-bromo-5-methoxyphenyl)propan-1-one
CID 134658371

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of 3-bromo-5-methoxy-N-propan-2-ylbenzamide (CID 138985588) is 3-bromo-5-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-bromo-5-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 3-bromo-5-methoxy-N-propan-2-ylbenzamide is COc1cc(Br)cc(C(=O)NC(C)C)c1.
What is the InChIKey of 3-bromo-5-methoxy-N-propan-2-ylbenzamide?
The InChIKey is JNNUIMMKCIPZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-7(2)13-11(14)8-4-9(12)6-10(5-8)15-3/h4-7H,1-3H3,(H,13,14).
What are the key properties of 3-bromo-5-methoxy-N-propan-2-ylbenzamide?
3-bromo-5-methoxy-N-propan-2-ylbenzamide has a molecular weight of 272.14 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 138985588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).