3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide

C10H10Cl2FNO — CID 130520854

IUPAC3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide
SMILESCc1cc(NC(=O)CCCl)c(Cl)cc1F
InChIInChI=1S/C10H10Cl2FNO/c1-6-4-9(7(12)5-8(6)13)14-10(15)2-3-11/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyZHJBYBVFEJAOFH-UHFFFAOYSA-N
MW250.10 g/mol
LogP3.35
Rot. Bonds3

About 3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide

3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide (PubChem CID 130520854) has the molecular formula C10H10Cl2FNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide
PubChem CID130520854
Molecular FormulaC10H10Cl2FNO
Molecular Weight250.10 g/mol
Exact Mass249.01
IUPAC Name3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide
SMILESCc1cc(NC(=O)CCCl)c(Cl)cc1F
InChIInChI=1S/C10H10Cl2FNO/c1-6-4-9(7(12)5-8(6)13)14-10(15)2-3-11/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyZHJBYBVFEJAOFH-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.35
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

6-amino-N-(2-chloro-4-fluoro-5-methylphenyl)hexanamide
CID 112734750
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
N-(2-chloro-4-fluoro-5-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 112734747
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxyacetamide
CID 115139648
3-(2-chloro-4-fluoro-5-methylanilino)propanoic acid
CID 130520765
tert-butyl N-(2-chloro-4-fluoro-5-methylphenyl)carbamate
CID 130520747
N-(2-chloro-5-fluoro-4-methylphenyl)-2-oxopropanamide
CID 115175416
2-carbamothioyl-N-(2-chloro-4-fluoro-5-methylphenyl)butanamide
CID 112734756
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide
CID 71975409
3-chloro-N-[2-(3-chloropropanoylamino)-4-methylphenyl]propanamide
CID 3509027
N-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178606

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide?
The IUPAC name of 3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide (CID 130520854) is 3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide?
The canonical SMILES for 3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide is Cc1cc(NC(=O)CCCl)c(Cl)cc1F.
What is the InChIKey of 3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide?
The InChIKey is ZHJBYBVFEJAOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO/c1-6-4-9(7(12)5-8(6)13)14-10(15)2-3-11/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide?
3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide has a molecular weight of 250.10 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-4-fluoro-5-methylphenyl)propanamide is sourced from PubChem (CID 130520854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).