(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide

C15H13Cl2FN2O — CID 7928544

IUPAC(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-9(19-12-5-2-10(16)3-6-12)15(21)20-14-7-4-11(18)8-13(14)17/h2-9,19H,1H3,(H,20,21)/t9-/m0/s1
InChIKeyNJUXWHJDXHXVCO-VIFPVBQESA-N
MW327.19 g/mol
LogP4.57
Rot. Bonds4

About (2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide

(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 7928544) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is (2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
PubChem CID7928544
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC Name(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H13Cl2FN2O/c1-9(19-12-5-2-10(16)3-6-12)15(21)20-14-7-4-11(18)8-13(14)17/h2-9,19H,1H3,(H,20,21)/t9-/m0/s1
InChIKeyNJUXWHJDXHXVCO-VIFPVBQESA-N
XLogP4.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
(2S)-2-(4-bromo-3-methylanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 2571792
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 7775065
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
(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
N-(2-chloro-4-fluorophenyl)-2-(2-methoxyanilino)propanamide
CID 51168701
ethyl N-[4-[[1-(2,4-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542560
(2R)-2-(2-chloro-4-methylanilino)-N-(4-fluorophenyl)propanamide
CID 2475002
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide
CID 29080421
N-[4-[[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351392

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide (CID 7928544) is (2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide is C[C@H](Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is NJUXWHJDXHXVCO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c1-9(19-12-5-2-10(16)3-6-12)15(21)20-14-7-4-11(18)8-13(14)17/h2-9,19H,1H3,(H,20,21)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide?
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide has a molecular weight of 327.19 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 7928544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).