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

C9H8Cl2FNO — CID 2369653

IUPAC(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](Cl)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C9H8Cl2FNO/c1-5(10)9(14)13-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H,13,14)/t5-/m0/s1
InChIKeyYGJQRDCXOFVULB-YFKPBYRVSA-N
MW236.07 g/mol
LogP3.04
Rot. Bonds2

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

(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide (PubChem CID 2369653) has the molecular formula C9H8Cl2FNO and a molecular weight of 236.07 g/mol. Its IUPAC name is (2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
PubChem CID2369653
Molecular FormulaC9H8Cl2FNO
Molecular Weight236.07 g/mol
Exact Mass235.00
IUPAC Name(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide
SMILESC[C@H](Cl)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C9H8Cl2FNO/c1-5(10)9(14)13-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H,13,14)/t5-/m0/s1
InChIKeyYGJQRDCXOFVULB-YFKPBYRVSA-N
XLogP3.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-methylbutanamide
CID 29080421
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
N-(2-chloro-4-fluorophenyl)-2-(4-fluoroanilino)propanamide
CID 51167752
4-amino-N-(2-chloro-4-fluorophenyl)-2-methylbutanamide
CID 80542109
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
2-chloro-N-(2,6-dichloro-4-fluorophenyl)propanamide
CID 83078635
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] propanoate
CID 7851242
methyl N-(2-chloro-4-fluorophenyl)carbamate
CID 115579852
(2S)-N-(2-chloro-4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 7467684
(2S)-N-(2-chloro-4-fluorophenyl)-2-(3,5-dimethoxyphenoxy)propanamide
CID 7713955
1-(2-chloro-4-fluorophenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452646
(2R)-N-(2-chloro-4-fluorophenyl)-2-(2-methoxyphenoxy)propanamide
CID 7834392

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide (CID 2369653) is (2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide is C[C@H](Cl)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of (2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide?
The InChIKey is YGJQRDCXOFVULB-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H8Cl2FNO/c1-5(10)9(14)13-8-3-2-6(12)4-7(8)11/h2-5H,1H3,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide?
(2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide has a molecular weight of 236.07 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-N-(2-chloro-4-fluorophenyl)propanamide is sourced from PubChem (CID 2369653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).