2-[bromo(phenyl)methyl]benzamide

C14H12BrNO — CID 175221886

IUPAC2-[bromo(phenyl)methyl]benzamide
SMILESNC(=O)c1ccccc1C(Br)c1ccccc1
InChIInChI=1S/C14H12BrNO/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13H,(H2,16,17)
InChIKeyMVHVFCGIIIJKEE-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.27
Rot. Bonds3

About 2-[bromo(phenyl)methyl]benzamide

2-[bromo(phenyl)methyl]benzamide (PubChem CID 175221886) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-[bromo(phenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[bromo(phenyl)methyl]benzamide
PubChem CID175221886
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name2-[bromo(phenyl)methyl]benzamide
SMILESNC(=O)c1ccccc1C(Br)c1ccccc1
InChIInChI=1S/C14H12BrNO/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13H,(H2,16,17)
InChIKeyMVHVFCGIIIJKEE-UHFFFAOYSA-N
XLogP3.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-bromo(phenyl)methyl]benzoic acid
CID 99639138
2-[bromo-(4-bromophenyl)methyl]benzoic acid
CID 11728364
2-[(R)-bromo-(4-bromophenyl)methyl]benzoic acid
CID 92983356
2-[(2-methylphenyl)-phenylmethyl]benzamide
CID 68831264
2-[2-[bromo(phenyl)methyl]phenoxy]acetamide
CID 174707940
2-[(1R)-1-hydroxy-2-phenylethyl]benzamide
CID 91365302
2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide
CID 171869290
2-(1-pyridin-1-ium-1-ylethyl)benzamide
CID 66877295
CID 67588186
CID 67588186
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 176657549
2-[(2,4-dimethylphenyl)-phenylmethyl]benzamide
CID 174996851

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(phenyl)methyl]benzamide?
The IUPAC name of 2-[bromo(phenyl)methyl]benzamide (CID 175221886) is 2-[bromo(phenyl)methyl]benzamide.
What is the SMILES notation for 2-[bromo(phenyl)methyl]benzamide?
The canonical SMILES for 2-[bromo(phenyl)methyl]benzamide is NC(=O)c1ccccc1C(Br)c1ccccc1.
What is the InChIKey of 2-[bromo(phenyl)methyl]benzamide?
The InChIKey is MVHVFCGIIIJKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13H,(H2,16,17).
What are the key properties of 2-[bromo(phenyl)methyl]benzamide?
2-[bromo(phenyl)methyl]benzamide has a molecular weight of 290.16 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(phenyl)methyl]benzamide is sourced from PubChem (CID 175221886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).