3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide

C15H13BrClFN2O — CID 82778357

IUPAC3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrClFN2O/c1-8(11-4-3-10(16)7-12(11)17)20-14-6-9(15(19)21)2-5-13(14)18/h2-8,20H,1H3,(H2,19,21)
InChIKeyQMFVYYANJUTGBT-UHFFFAOYSA-N
MW371.64 g/mol
LogP4.51
Rot. Bonds4

About 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide

3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide (PubChem CID 82778357) has the molecular formula C15H13BrClFN2O and a molecular weight of 371.64 g/mol. Its IUPAC name is 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide
PubChem CID82778357
Molecular FormulaC15H13BrClFN2O
Molecular Weight371.64 g/mol
Exact Mass369.99
IUPAC Name3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H13BrClFN2O/c1-8(11-4-3-10(16)7-12(11)17)20-14-6-9(15(19)21)2-5-13(14)18/h2-8,20H,1H3,(H2,19,21)
InChIKeyQMFVYYANJUTGBT-UHFFFAOYSA-N
XLogP4.51
TPSA55.12 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 ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
CID 43700812
3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide
CID 43701132
5-bromo-2-[1-(2,4-dichlorophenyl)ethylamino]benzoic acid
CID 114895419
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
3-bromo-4-[1-(2,4-dichlorophenyl)ethylamino]benzenecarbothioamide
CID 82786388
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide
CID 43701049

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide?
The IUPAC name of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide (CID 82778357) is 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide.
What is the SMILES notation for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide?
The canonical SMILES for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide is CC(Nc1cc(C(N)=O)ccc1F)c1ccc(Br)cc1Cl.
What is the InChIKey of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide?
The InChIKey is QMFVYYANJUTGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFN2O/c1-8(11-4-3-10(16)7-12(11)17)20-14-6-9(15(19)21)2-5-13(14)18/h2-8,20H,1H3,(H2,19,21).
What are the key properties of 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide?
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide has a molecular weight of 371.64 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide is sourced from PubChem (CID 82778357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).