3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide

C15H13ClF2N2O — CID 43700812

IUPAC3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClF2N2O/c1-8(9-2-4-12(17)11(16)6-9)20-14-7-10(15(19)21)3-5-13(14)18/h2-8,20H,1H3,(H2,19,21)
InChIKeyYYLFVZFZVGADNU-UHFFFAOYSA-N
MW310.73 g/mol
LogP3.89
Rot. Bonds4

About 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide

3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide (PubChem CID 43700812) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
PubChem CID43700812
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC Name3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide
SMILESCC(Nc1cc(C(N)=O)ccc1F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClF2N2O/c1-8(9-2-4-12(17)11(16)6-9)20-14-7-10(15(19)21)3-5-13(14)18/h2-8,20H,1H3,(H2,19,21)
InChIKeyYYLFVZFZVGADNU-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-[1-(4-methylsulfanylphenyl)ethylamino]benzamide
CID 43701049
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-4-fluorobenzamide
CID 82778357
1-(3-chloro-4-fluorophenyl)ethylurea
CID 121418014
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
4-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid
CID 43321605
methyl 3-[1-(4-chlorophenyl)ethylamino]-4-fluorobenzoate
CID 43684447
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
4-fluoro-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43701200
4-amino-3-[1-(3-chlorophenyl)ethylamino]benzamide
CID 63356730
3-[1-(2,5-dihydroxyphenyl)ethylamino]-4-fluorobenzamide
CID 43701132
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643726

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide?
The IUPAC name of 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide (CID 43700812) is 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide.
What is the SMILES notation for 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide?
The canonical SMILES for 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide is CC(Nc1cc(C(N)=O)ccc1F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide?
The InChIKey is YYLFVZFZVGADNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-8(9-2-4-12(17)11(16)6-9)20-14-7-10(15(19)21)3-5-13(14)18/h2-8,20H,1H3,(H2,19,21).
What are the key properties of 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide?
3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide has a molecular weight of 310.73 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-4-fluorophenyl)ethylamino]-4-fluorobenzamide is sourced from PubChem (CID 43700812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).