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

C15H13BrFNO — CID 102850738

IUPAC4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H13BrFNO/c1-10-8-13(17)6-7-14(10)18-15(19)12-4-2-11(9-16)3-5-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeySTPLOUMPUPHVQO-UHFFFAOYSA-N
MW322.18 g/mol
LogP4.28
Rot. Bonds3

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

4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide (PubChem CID 102850738) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
PubChem CID102850738
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C15H13BrFNO/c1-10-8-13(17)6-7-14(10)18-15(19)12-4-2-11(9-16)3-5-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeySTPLOUMPUPHVQO-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-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
CID 102851138
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547
3-[[4-(bromomethyl)benzoyl]amino]-4-methylbenzoic acid
CID 102851169
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 102850799
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8840517
N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 9426257
3-[(4-fluoro-2-methylphenyl)carbamoyl]benzoic acid
CID 43452888

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide (CID 102850738) is 4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide is Cc1cc(F)ccc1NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide?
The InChIKey is STPLOUMPUPHVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10-8-13(17)6-7-14(10)18-15(19)12-4-2-11(9-16)3-5-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide?
4-(bromomethyl)-N-(4-fluoro-2-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-(4-fluoro-2-methylphenyl)benzamide is sourced from PubChem (CID 102850738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).