3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide

C16H16BrFN2O — CID 115556847

IUPAC3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1ccc(CNc2cc(C(N)=O)cc(F)c2C)c(Br)c1
InChIInChI=1S/C16H16BrFN2O/c1-9-3-4-11(13(17)5-9)8-20-15-7-12(16(19)21)6-14(18)10(15)2/h3-7,20H,8H2,1-2H3,(H2,19,21)
InChIKeyLSMVHMAVTGCGKO-UHFFFAOYSA-N
MW351.22 g/mol
LogP3.92
Rot. Bonds4

About 3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide

3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide (PubChem CID 115556847) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide
PubChem CID115556847
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide
SMILESCc1ccc(CNc2cc(C(N)=O)cc(F)c2C)c(Br)c1
InChIInChI=1S/C16H16BrFN2O/c1-9-3-4-11(13(17)5-9)8-20-15-7-12(16(19)21)6-14(18)10(15)2/h3-7,20H,8H2,1-2H3,(H2,19,21)
InChIKeyLSMVHMAVTGCGKO-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-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

3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735711
3-fluoro-4-methyl-5-[(7-methyl-2-oxochromen-4-yl)methylamino]benzamide
CID 71876632
3-[(3-chloro-2-fluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115744032
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
3-[(5-bromothiophen-3-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735810
3-[2-(2-bromo-4-methylphenoxy)propanoylamino]-5-fluoro-4-methylbenzamide
CID 55784977
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 60780936
3-fluoro-4-methyl-5-(2-methylpentylamino)benzamide
CID 43735676
3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide
CID 60786943
3-(cyclopentylmethylamino)-5-fluoro-4-methylbenzamide
CID 62070875
4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide
CID 63333639

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide (CID 115556847) is 3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide is Cc1ccc(CNc2cc(C(N)=O)cc(F)c2C)c(Br)c1.
What is the InChIKey of 3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide?
The InChIKey is LSMVHMAVTGCGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-9-3-4-11(13(17)5-9)8-20-15-7-12(16(19)21)6-14(18)10(15)2/h3-7,20H,8H2,1-2H3,(H2,19,21).
What are the key properties of 3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide?
3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide has a molecular weight of 351.22 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 115556847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).