4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide

C14H10BrClF2N2O — CID 107611393

IUPAC4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(CNc2c(Cl)cc(F)cc2Br)c(F)c1
InChIInChI=1S/C14H10BrClF2N2O/c15-10-4-9(17)5-11(16)13(10)20-6-8-2-1-7(14(19)21)3-12(8)18/h1-5,20H,6H2,(H2,19,21)
InChIKeyDGFFTBAPHQCQSI-UHFFFAOYSA-N
MW375.60 g/mol
LogP4.09
Rot. Bonds4

About 4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide

4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide (PubChem CID 107611393) has the molecular formula C14H10BrClF2N2O and a molecular weight of 375.60 g/mol. Its IUPAC name is 4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide
PubChem CID107611393
Molecular FormulaC14H10BrClF2N2O
Molecular Weight375.60 g/mol
Exact Mass373.96
IUPAC Name4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide
SMILESNC(=O)c1ccc(CNc2c(Cl)cc(F)cc2Br)c(F)c1
InChIInChI=1S/C14H10BrClF2N2O/c15-10-4-9(17)5-11(16)13(10)20-6-8-2-1-7(14(19)21)3-12(8)18/h1-5,20H,6H2,(H2,19,21)
InChIKeyDGFFTBAPHQCQSI-UHFFFAOYSA-N
XLogP4.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.60
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(2-bromo-6-chloro-4-fluoroanilino)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

2-bromo-6-chloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107610595
4-[(2-chloroanilino)methyl]-3-fluorobenzamide
CID 28581400
4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
CID 28556485
3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide
CID 107598781
2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide
CID 63333639
4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide
CID 107621511
2-bromo-6-chloro-4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]aniline
CID 107610276
3-(2-bromo-6-chloro-4-fluoroanilino)propanamide
CID 107611377
4-[(3-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28572208
2-bromo-6-[(2-bromo-6-chloro-4-fluoroanilino)methyl]phenol
CID 107610553
3-[(2,6-dichloro-4-fluoroanilino)methyl]benzamide
CID 83077384

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide?
The IUPAC name of 4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide (CID 107611393) is 4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide is NC(=O)c1ccc(CNc2c(Cl)cc(F)cc2Br)c(F)c1.
What is the InChIKey of 4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide?
The InChIKey is DGFFTBAPHQCQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2N2O/c15-10-4-9(17)5-11(16)13(10)20-6-8-2-1-7(14(19)21)3-12(8)18/h1-5,20H,6H2,(H2,19,21).
What are the key properties of 4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide?
4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide has a molecular weight of 375.60 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide is sourced from PubChem (CID 107611393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).