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

C15H13BrClFN2O — CID 103817850

IUPACN-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(F)cc2Br)cc1Cl
InChIInChI=1S/C15H13BrClFN2O/c1-9(21)20-15-5-4-12(7-14(15)17)19-8-10-2-3-11(18)6-13(10)16/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeySHROGYKJXIUUAY-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.81
Rot. Bonds4

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

N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide (PubChem CID 103817850) has the molecular formula C15H13BrClFN2O and a molecular weight of 371.64 g/mol. Its IUPAC name is N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
PubChem CID103817850
Molecular FormulaC15H13BrClFN2O
Molecular Weight371.64 g/mol
Exact Mass369.99
IUPAC NameN-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(F)cc2Br)cc1Cl
InChIInChI=1S/C15H13BrClFN2O/c1-9(21)20-15-5-4-12(7-14(15)17)19-8-10-2-3-11(18)6-13(10)16/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeySHROGYKJXIUUAY-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

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Related Compounds

N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
CID 115556688
N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43690141
N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide
CID 43672810
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide
CID 43690201
N-[4-[(5-fluoro-2-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 103943723
N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide
CID 115904078
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-3-fluoroaniline
CID 65437532
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301
N-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 28511745
N-[(2-bromo-4-fluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55196577

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide (CID 103817850) is N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(NCc2ccc(F)cc2Br)cc1Cl.
What is the InChIKey of N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide?
The InChIKey is SHROGYKJXIUUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O/c1-9(21)20-15-5-4-12(7-14(15)17)19-8-10-2-3-11(18)6-13(10)16/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide?
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]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-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide is sourced from PubChem (CID 103817850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).