N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide

C15H13ClF2N2O — CID 51167752

IUPACN-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
SMILESCC(Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClF2N2O/c1-9(19-12-5-2-10(17)3-6-12)15(21)20-14-7-4-11(18)8-13(14)16/h2-9,19H,1H3,(H,20,21)
InChIKeyOSFHSHOIGDCHHW-UHFFFAOYSA-N
MW310.73 g/mol
LogP4.06
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide

N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide (PubChem CID 51167752) has the molecular formula C15H13ClF2N2O and a molecular weight of 310.73 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
PubChem CID51167752
Molecular FormulaC15H13ClF2N2O
Molecular Weight310.73 g/mol
Exact Mass310.07
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
SMILESCC(Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H13ClF2N2O/c1-9(19-12-5-2-10(17)3-6-12)15(21)20-14-7-4-11(18)8-13(14)16/h2-9,19H,1H3,(H,20,21)
InChIKeyOSFHSHOIGDCHHW-UHFFFAOYSA-N
XLogP4.06
TPSA41.13 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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
(2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 2571792
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 7775065
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474138
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
CID 2369653
(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
CID 2475002
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide
CID 29080421
(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(4-ethylpiperazin-1-yl)-3-methylanilino]propanamide
CID 25330966
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
(2S)-N-(2-chloro-4-fluorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755176

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide (CID 51167752) is N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide is CC(Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide?
The InChIKey is OSFHSHOIGDCHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2N2O/c1-9(19-12-5-2-10(17)3-6-12)15(21)20-14-7-4-11(18)8-13(14)16/h2-9,19H,1H3,(H,20,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide?
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide has a molecular weight of 310.73 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide is sourced from PubChem (CID 51167752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).