N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide

C15H13BrClFN2O — CID 115868166

IUPACN-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H13BrClFN2O/c1-9(21)20-12-4-5-14(18)15(7-12)19-8-10-2-3-11(16)6-13(10)17/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyZZQFQDAYDMNNEC-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.81
Rot. Bonds4

About N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide

N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide (PubChem CID 115868166) has the molecular formula C15H13BrClFN2O and a molecular weight of 371.64 g/mol. Its IUPAC name is N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
PubChem CID115868166
Molecular FormulaC15H13BrClFN2O
Molecular Weight371.64 g/mol
Exact Mass369.99
IUPAC NameN-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccc(Br)cc2Cl)c1
InChIInChI=1S/C15H13BrClFN2O/c1-9(21)20-12-4-5-14(18)15(7-12)19-8-10-2-3-11(16)6-13(10)17/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyZZQFQDAYDMNNEC-UHFFFAOYSA-N
XLogP4.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.64
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide 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

N-[3-[(5-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide
CID 103696999
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
N-[4-[(4-bromo-2-fluorophenyl)methylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 46604266
2-(5-acetamido-2-fluoroanilino)-N-(4-bromo-2-methylphenyl)acetamide
CID 37278653
N-[(4-bromo-2-chlorophenyl)methyl]-2,3-difluoroaniline
CID 113470955
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672553
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
CID 55161647
2-(5-acetamido-2-fluoroanilino)-N-(2,3-dichlorophenyl)acetamide
CID 37278206

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide?
The IUPAC name of N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide (CID 115868166) is N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide is CC(=O)Nc1ccc(F)c(NCc2ccc(Br)cc2Cl)c1.
What is the InChIKey of N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide?
The InChIKey is ZZQFQDAYDMNNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O/c1-9(21)20-12-4-5-14(18)15(7-12)19-8-10-2-3-11(16)6-13(10)17/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide?
N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide has a molecular weight of 371.64 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromo-2-chlorophenyl)methylamino]-4-fluorophenyl]acetamide is sourced from PubChem (CID 115868166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).