2-bromo-N-cyclopropyl-6-methoxybenzamide

C11H12BrNO2 — CID 171934573

IUPAC2-bromo-N-cyclopropyl-6-methoxybenzamide
SMILESCOc1cccc(Br)c1C(=O)NC1CC1
InChIInChI=1S/C11H12BrNO2/c1-15-9-4-2-3-8(12)10(9)11(14)13-7-5-6-7/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyBLEMMFMRPJVGSS-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.35
Rot. Bonds3

About 2-bromo-N-cyclopropyl-6-methoxybenzamide

2-bromo-N-cyclopropyl-6-methoxybenzamide (PubChem CID 171934573) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-6-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-6-methoxybenzamide
PubChem CID171934573
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-bromo-N-cyclopropyl-6-methoxybenzamide
SMILESCOc1cccc(Br)c1C(=O)NC1CC1
InChIInChI=1S/C11H12BrNO2/c1-15-9-4-2-3-8(12)10(9)11(14)13-7-5-6-7/h2-4,7H,5-6H2,1H3,(H,13,14)
InChIKeyBLEMMFMRPJVGSS-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549752
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
2-bromo-6-methoxy-N-propylbenzamide
CID 171934574
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide
CID 171369269
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
tert-butyl N-[1-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
2,6-dimethoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712543

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-6-methoxybenzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-6-methoxybenzamide (CID 171934573) is 2-bromo-N-cyclopropyl-6-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-6-methoxybenzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-6-methoxybenzamide is COc1cccc(Br)c1C(=O)NC1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-6-methoxybenzamide?
The InChIKey is BLEMMFMRPJVGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-15-9-4-2-3-8(12)10(9)11(14)13-7-5-6-7/h2-4,7H,5-6H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-cyclopropyl-6-methoxybenzamide?
2-bromo-N-cyclopropyl-6-methoxybenzamide has a molecular weight of 270.13 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-6-methoxybenzamide is sourced from PubChem (CID 171934573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).