N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide

C15H13ClFNO — CID 41483845

IUPACN-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNO/c16-12-5-7-14(8-6-12)18-15(19)9-4-11-2-1-3-13(17)10-11/h1-3,5-8,10H,4,9H2,(H,18,19)
InChIKeyPSQPSEFFMAMVEW-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.05
Rot. Bonds4

About N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide

N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide (PubChem CID 41483845) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
PubChem CID41483845
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC NameN-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide
SMILESO=C(CCc1cccc(F)c1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNO/c16-12-5-7-14(8-6-12)18-15(19)9-4-11-2-1-3-13(17)10-11/h1-3,5-8,10H,4,9H2,(H,18,19)
InChIKeyPSQPSEFFMAMVEW-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 36590991
N-[4-[3-(3-fluorophenyl)propanoylamino]phenyl]-3-methylbutanamide
CID 33036873
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
[2-(4-chloroanilino)-2-oxoethyl]-[(3-fluorophenyl)methyl]-methylazanium
CID 8961750
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353
tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate
CID 78885273
tert-butyl N-[2-[4-[3-(3-fluorophenyl)propanoylamino]anilino]-2-oxoethyl]carbamate
CID 108917037
[3-[[4-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamoyl]phenyl] acetate
CID 108927732
3-(3-fluorophenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)propanamide
CID 110777102
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-fluorophenyl)propanamide
CID 34433022
3-(3-fluorophenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110611038
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839907

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide (CID 41483845) is N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide is O=C(CCc1cccc(F)c1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide?
The InChIKey is PSQPSEFFMAMVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-12-5-7-14(8-6-12)18-15(19)9-4-11-2-1-3-13(17)10-11/h1-3,5-8,10H,4,9H2,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide?
N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide has a molecular weight of 277.73 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 41483845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).