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

C14H11BrClFN2O — CID 102975726

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

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

5-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide (PubChem CID 102975726) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 5-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide
PubChem CID102975726
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name5-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide
SMILESNC(=O)c1cc(NCc2ccc(Br)c(Cl)c2)ccc1F
InChIInChI=1S/C14H11BrClFN2O/c15-11-3-1-8(5-12(11)16)7-19-9-2-4-13(17)10(6-9)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyWBMRGUHTVCTVDO-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide?
The IUPAC name of 5-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide (CID 102975726) is 5-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide is NC(=O)c1cc(NCc2ccc(Br)c(Cl)c2)ccc1F.
What is the InChIKey of 5-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide?
The InChIKey is WBMRGUHTVCTVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c15-11-3-1-8(5-12(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-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide?
5-[(4-bromo-3-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-[(4-bromo-3-chlorophenyl)methylamino]-2-fluorobenzamide is sourced from PubChem (CID 102975726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).