2-bromo-N-(3-methylphenyl)benzamide

C14H12BrNO — CID 532187

IUPAC2-bromo-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C14H12BrNO/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15/h2-9H,1H3,(H,16,17)
InChIKeyXDQOOOIXHDTVLH-UHFFFAOYSA-N
MW290.16 g/mol
LogP4.01
Rot. Bonds2

About 2-bromo-N-(3-methylphenyl)benzamide

2-bromo-N-(3-methylphenyl)benzamide (PubChem CID 532187) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-bromo-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(3-methylphenyl)benzamide
PubChem CID532187
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name2-bromo-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C14H12BrNO/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15/h2-9H,1H3,(H,16,17)
InChIKeyXDQOOOIXHDTVLH-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(3,5-dimethylphenyl)benzamide
CID 710587
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189
2-bromo-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 2246745
N-(3-methylphenyl)-2-(trifluoromethyl)benzamide
CID 846758
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
2-bromo-N-naphthalen-2-ylbenzamide
CID 4259663

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(3-methylphenyl)benzamide (CID 532187) is 2-bromo-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-(3-methylphenyl)benzamide?
The InChIKey is XDQOOOIXHDTVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c1-10-5-4-6-11(9-10)16-14(17)12-7-2-3-8-13(12)15/h2-9H,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(3-methylphenyl)benzamide?
2-bromo-N-(3-methylphenyl)benzamide has a molecular weight of 290.16 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 532187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).