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

C15H14BrFN2O — CID 66474208

IUPAC5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
SMILESCc1cc(CNc2ccc(F)c(C(N)=O)c2)ccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9-6-10(2-4-13(9)16)8-19-11-3-5-14(17)12(7-11)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyKGGJKDHGNKAAEN-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.61
Rot. Bonds4

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

5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide (PubChem CID 66474208) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is 5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
PubChem CID66474208
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC Name5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
SMILESCc1cc(CNc2ccc(F)c(C(N)=O)c2)ccc1Br
InChIInChI=1S/C15H14BrFN2O/c1-9-6-10(2-4-13(9)16)8-19-11-3-5-14(17)12(7-11)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyKGGJKDHGNKAAEN-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide
CID 83236587
4-[(4-bromo-3-methylphenyl)methylamino]-2-fluorophenol
CID 66473251
2-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]benzamide
CID 63646371
methyl 5-[(4-bromo-3-fluorophenyl)methylamino]-2-fluorobenzoate
CID 79671769
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzonitrile
CID 66473027
5-[(4-bromo-3-methylphenyl)methylamino]-2,4-difluorobenzoic acid
CID 66473007
5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
CID 105401144
2-fluoro-5-(1H-indol-6-ylmethylamino)benzamide
CID 102909656
5-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-fluorobenzamide
CID 102832679
5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
CID 43779137
methyl 5-[(3-carbamoyl-4-fluoroanilino)methyl]furan-2-carboxylate
CID 43784013

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide?
The IUPAC name of 5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide (CID 66474208) is 5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide is Cc1cc(CNc2ccc(F)c(C(N)=O)c2)ccc1Br.
What is the InChIKey of 5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide?
The InChIKey is KGGJKDHGNKAAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c1-9-6-10(2-4-13(9)16)8-19-11-3-5-14(17)12(7-11)15(18)20/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide?
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide has a molecular weight of 337.19 g/mol, XLogP of 3.61, 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-methylphenyl)methylamino]-2-fluorobenzamide is sourced from PubChem (CID 66474208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).