N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide

C15H13BrFNO — CID 80717878

IUPACN-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2cccc(Br)c2)c1F
InChIInChI=1S/C15H13BrFNO/c1-10-4-2-7-13(14(10)17)15(19)18-9-11-5-3-6-12(16)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyAKAMCDZZITULFM-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.83
Rot. Bonds3

About N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide

N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide (PubChem CID 80717878) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
PubChem CID80717878
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2cccc(Br)c2)c1F
InChIInChI=1S/C15H13BrFNO/c1-10-4-2-7-13(14(10)17)15(19)18-9-11-5-3-6-12(16)8-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyAKAMCDZZITULFM-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

Analyze N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
2-bromo-N-[(3-bromophenyl)methyl]-5-methylbenzamide
CID 80980229
N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105381021
N-[(3-bromophenyl)methyl]-2,4,5-trifluoro-3-hydroxybenzamide
CID 61410155
N-[(3-carbamothioylphenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481451
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
N-[(3-bromophenyl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917207
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-bromophenyl)methyl]-2-hydrazinyl-5-methylbenzamide
CID 62511517
N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 114312955

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide (CID 80717878) is N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NCc2cccc(Br)c2)c1F.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide?
The InChIKey is AKAMCDZZITULFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10-4-2-7-13(14(10)17)15(19)18-9-11-5-3-6-12(16)8-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide?
N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide 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 N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80717878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).