4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide

C15H13BrFNO — CID 102852150

IUPAC4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide
SMILESCc1cccc(F)c1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H13BrFNO/c1-10-3-2-4-13(17)14(10)18-15(19)12-7-5-11(9-16)6-8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyQQOKEORWTYQGRM-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.28
Rot. Bonds3

About 4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide

4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide (PubChem CID 102852150) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide
PubChem CID102852150
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide
SMILESCc1cccc(F)c1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H13BrFNO/c1-10-3-2-4-13(17)14(10)18-15(19)12-7-5-11(9-16)6-8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyQQOKEORWTYQGRM-UHFFFAOYSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.28
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

4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
4-bromo-3-chloro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352699
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-(2-amino-6-fluorophenyl)-4-ethylbenzamide
CID 81313700
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191
4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
CID 102850738
N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide
CID 102850915
3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 102850799
N-(2-bromo-6-methylphenyl)-4-chlorobenzamide
CID 4100281

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide (CID 102852150) is 4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide is Cc1cccc(F)c1NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide?
The InChIKey is QQOKEORWTYQGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10-3-2-4-13(17)14(10)18-15(19)12-7-5-11(9-16)6-8-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide?
4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide has a molecular weight of 322.18 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-fluoro-6-methylphenyl)benzamide is sourced from PubChem (CID 102852150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).