4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide

C15H14BrFN2O — CID 63333639

IUPAC4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide
SMILESCc1ccc(NCc2ccc(C(N)=O)cc2F)cc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9-2-5-12(7-13(9)16)19-8-11-4-3-10(15(18)20)6-14(11)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyURWAZJNIVIVBRR-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.61
Rot. Bonds4

About 4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide

4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide (PubChem CID 63333639) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide
PubChem CID63333639
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide
SMILESCc1ccc(NCc2ccc(C(N)=O)cc2F)cc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9-2-5-12(7-13(9)16)19-8-11-4-3-10(15(18)20)6-14(11)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyURWAZJNIVIVBRR-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide 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

3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
CID 62810109
4-[(4-bromo-2-fluorophenyl)methylamino]benzamide
CID 43242985
3-[(3-bromo-4-methylanilino)methyl]benzamide
CID 55201932
4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952
4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide
CID 102663836
4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
CID 28556485
4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide
CID 107621511
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
3-bromo-4-[(4-fluoro-3-methylanilino)methyl]benzoic acid
CID 103249428
4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide
CID 107611393

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide (CID 63333639) is 4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide is Cc1ccc(NCc2ccc(C(N)=O)cc2F)cc1Br.
What is the InChIKey of 4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide?
The InChIKey is URWAZJNIVIVBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9-2-5-12(7-13(9)16)19-8-11-4-3-10(15(18)20)6-14(11)17/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide?
4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide is sourced from PubChem (CID 63333639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).