3-chloro-N-(3-chloro-2-fluorophenyl)propanamide

C9H8Cl2FNO — CID 28830698

IUPAC3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
SMILESO=C(CCCl)Nc1cccc(Cl)c1F
InChIInChI=1S/C9H8Cl2FNO/c10-5-4-8(14)13-7-3-1-2-6(11)9(7)12/h1-3H,4-5H2,(H,13,14)
InChIKeyAWWHUJWVDLMZDD-UHFFFAOYSA-N
MW236.07 g/mol
LogP3.05
Rot. Bonds3

About 3-chloro-N-(3-chloro-2-fluorophenyl)propanamide

3-chloro-N-(3-chloro-2-fluorophenyl)propanamide (PubChem CID 28830698) has the molecular formula C9H8Cl2FNO and a molecular weight of 236.07 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
PubChem CID28830698
Molecular FormulaC9H8Cl2FNO
Molecular Weight236.07 g/mol
Exact Mass235.00
IUPAC Name3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
SMILESO=C(CCCl)Nc1cccc(Cl)c1F
InChIInChI=1S/C9H8Cl2FNO/c10-5-4-8(14)13-7-3-1-2-6(11)9(7)12/h1-3H,4-5H2,(H,13,14)
InChIKeyAWWHUJWVDLMZDD-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 53.05
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

3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396608
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
(3-chloro-2-fluorophenyl)urea
CID 28969166
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604948
N-(3-chloro-2-fluorophenyl)-2-(2-methylphenyl)acetamide
CID 30929902
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
5-(3-chloro-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27156582
N-(3-chloro-2-fluorophenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47780650
4-(3-chloro-2-fluoroanilino)butanoic acid
CID 28969211
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-2-fluorophenyl)propanamide?
The IUPAC name of 3-chloro-N-(3-chloro-2-fluorophenyl)propanamide (CID 28830698) is 3-chloro-N-(3-chloro-2-fluorophenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-2-fluorophenyl)propanamide?
The canonical SMILES for 3-chloro-N-(3-chloro-2-fluorophenyl)propanamide is O=C(CCCl)Nc1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-N-(3-chloro-2-fluorophenyl)propanamide?
The InChIKey is AWWHUJWVDLMZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2FNO/c10-5-4-8(14)13-7-3-1-2-6(11)9(7)12/h1-3H,4-5H2,(H,13,14).
What are the key properties of 3-chloro-N-(3-chloro-2-fluorophenyl)propanamide?
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide has a molecular weight of 236.07 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-2-fluorophenyl)propanamide is sourced from PubChem (CID 28830698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).