N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide

C15H13BrClFN2O — CID 43690142

IUPACN-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cc(Br)ccc2F)cc1Cl
InChIInChI=1S/C15H13BrClFN2O/c1-9(21)20-15-5-3-12(7-13(15)17)19-8-10-6-11(16)2-4-14(10)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeySANLVYAKISVSPF-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.81
Rot. Bonds4

About N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide

N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide (PubChem CID 43690142) has the molecular formula C15H13BrClFN2O and a molecular weight of 371.64 g/mol. Its IUPAC name is N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
PubChem CID43690142
Molecular FormulaC15H13BrClFN2O
Molecular Weight371.64 g/mol
Exact Mass369.99
IUPAC NameN-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cc(Br)ccc2F)cc1Cl
InChIInChI=1S/C15H13BrClFN2O/c1-9(21)20-15-5-3-12(7-13(15)17)19-8-10-6-11(16)2-4-14(10)18/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeySANLVYAKISVSPF-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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide (CID 43690142) is N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(NCc2cc(Br)ccc2F)cc1Cl.
What is the InChIKey of N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide?
The InChIKey is SANLVYAKISVSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O/c1-9(21)20-15-5-3-12(7-13(15)17)19-8-10-6-11(16)2-4-14(10)18/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-[4-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide?
N-[4-[(5-bromo-2-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-[(5-bromo-2-fluorophenyl)methylamino]-2-chlorophenyl]acetamide is sourced from PubChem (CID 43690142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).