4-chloro-N-(3-chloro-4-fluorophenyl)butanamide

C10H10Cl2FNO — CID 3442191

IUPAC4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
SMILESO=C(CCCCl)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10Cl2FNO/c11-5-1-2-10(15)14-7-3-4-9(13)8(12)6-7/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyQEWIOGZWDJWZDB-UHFFFAOYSA-N
MW250.10 g/mol
LogP3.44
Rot. Bonds4

About 4-chloro-N-(3-chloro-4-fluorophenyl)butanamide

4-chloro-N-(3-chloro-4-fluorophenyl)butanamide (PubChem CID 3442191) has the molecular formula C10H10Cl2FNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-fluorophenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
PubChem CID3442191
Molecular FormulaC10H10Cl2FNO
Molecular Weight250.10 g/mol
Exact Mass249.01
IUPAC Name4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
SMILESO=C(CCCCl)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H10Cl2FNO/c11-5-1-2-10(15)14-7-3-4-9(13)8(12)6-7/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyQEWIOGZWDJWZDB-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.44
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

4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
N-(3-acetamido-4-fluorophenyl)-4-chlorobutanamide
CID 63309475
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 84553692
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671
3-[[4-(3-chloro-4-fluoroanilino)-4-oxobutanoyl]amino]propanoic acid
CID 50985332
N-(4-bromo-3-fluorophenyl)-5-chloropentanamide
CID 65436710
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-(4-acetamidophenyl)-3-(3-chloro-4-fluoroanilino)propanamide
CID 109038816
methyl 2-chloro-5-(4-chlorobutanoylamino)benzoate
CID 55204060

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)butanamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)butanamide (CID 3442191) is 4-chloro-N-(3-chloro-4-fluorophenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-fluorophenyl)butanamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-fluorophenyl)butanamide is O=C(CCCCl)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-chloro-N-(3-chloro-4-fluorophenyl)butanamide?
The InChIKey is QEWIOGZWDJWZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO/c11-5-1-2-10(15)14-7-3-4-9(13)8(12)6-7/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of 4-chloro-N-(3-chloro-4-fluorophenyl)butanamide?
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide has a molecular weight of 250.10 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-fluorophenyl)butanamide is sourced from PubChem (CID 3442191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).