3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide

C15H13BrFNO — CID 25316330

IUPAC3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(Br)c2)cc1F
InChIInChI=1S/C15H13BrFNO/c1-10-5-6-11(7-14(10)17)9-18-15(19)12-3-2-4-13(16)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYDDPMKIIIXDUOO-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.83
Rot. Bonds3

About 3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide

3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide (PubChem CID 25316330) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is 3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
PubChem CID25316330
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(Br)c2)cc1F
InChIInChI=1S/C15H13BrFNO/c1-10-5-6-11(7-14(10)17)9-18-15(19)12-3-2-4-13(16)8-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYDDPMKIIIXDUOO-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 43471397
5-bromo-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 25316377
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
2-amino-4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 79714917
4-N-[(3-fluoro-4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 34486663
3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
CID 61400942
3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
CID 39271149
N-ethyl-3-[[[ethylamino-[(3-fluoro-4-methylphenyl)methylamino]methylidene]amino]methyl]benzamide
CID 111846689
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
2-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-5-methylbenzamide
CID 80978985
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide (CID 25316330) is 3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cccc(Br)c2)cc1F.
What is the InChIKey of 3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
The InChIKey is YDDPMKIIIXDUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10-5-6-11(7-14(10)17)9-18-15(19)12-3-2-4-13(16)8-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide?
3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide has a molecular weight of 322.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 25316330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).