5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide

C14H11BrClFN2O — CID 83236587

IUPAC5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NCc2ccc(Cl)c(Br)c2)ccc1F
InChIInChI=1S/C14H11BrClFN2O/c15-11-5-8(1-3-12(11)16)7-19-9-2-4-13(17)10(6-9)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeySRHDKWZMGUQUHE-UHFFFAOYSA-N
MW357.61 g/mol
LogP3.95
Rot. Bonds4

About 5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide

5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide (PubChem CID 83236587) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide
PubChem CID83236587
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NCc2ccc(Cl)c(Br)c2)ccc1F
InChIInChI=1S/C14H11BrClFN2O/c15-11-5-8(1-3-12(11)16)7-19-9-2-4-13(17)10(6-9)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeySRHDKWZMGUQUHE-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
CID 66474208
5-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorobenzoic acid
CID 83230245
2-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]benzamide
CID 63646371
5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide
CID 102832679
methyl 4-[(3-bromo-4-chloroanilino)methyl]-2-fluorobenzoate
CID 106700212
5-[(2-chlorophenyl)methylamino]-2-fluorobenzamide
CID 43705170
2-fluoro-5-(1H-indol-6-ylmethylamino)benzamide
CID 102909656
N-[(3-bromo-4-chlorophenyl)methyl]-4-chloro-2-fluoroaniline
CID 83236223
4-[(3-bromo-4-chlorophenyl)methylamino]-2-chlorophenol
CID 107678809
methyl 5-[(4-bromo-3-fluorophenyl)methylamino]-2-fluorobenzoate
CID 79671769
2-fluoro-5-[(2-fluorophenyl)methylamino]benzamide
CID 43705456
2-chloro-5-[(3-fluoro-4-hydroxyphenyl)methylamino]benzoic acid
CID 107685555

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide?
The IUPAC name of 5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide (CID 83236587) is 5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide is NC(=O)c1cc(NCc2ccc(Cl)c(Br)c2)ccc1F.
What is the InChIKey of 5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide?
The InChIKey is SRHDKWZMGUQUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c15-11-5-8(1-3-12(11)16)7-19-9-2-4-13(17)10(6-9)14(18)20/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide?
5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide has a molecular weight of 357.61 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide is sourced from PubChem (CID 83236587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).