5-chloro-N-(2,4-dichlorophenyl)pentanamide

C11H12Cl3NO — CID 28727917

IUPAC5-chloro-N-(2,4-dichlorophenyl)pentanamide
SMILESO=C(CCCCCl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO/c12-6-2-1-3-11(16)15-10-5-4-8(13)7-9(10)14/h4-5,7H,1-3,6H2,(H,15,16)
InChIKeySVXZUKSBGZMWHH-UHFFFAOYSA-N
MW280.58 g/mol
LogP4.34
Rot. Bonds5

About 5-chloro-N-(2,4-dichlorophenyl)pentanamide

5-chloro-N-(2,4-dichlorophenyl)pentanamide (PubChem CID 28727917) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dichlorophenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dichlorophenyl)pentanamide
PubChem CID28727917
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC Name5-chloro-N-(2,4-dichlorophenyl)pentanamide
SMILESO=C(CCCCCl)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3NO/c12-6-2-1-3-11(16)15-10-5-4-8(13)7-9(10)14/h4-5,7H,1-3,6H2,(H,15,16)
InChIKeySVXZUKSBGZMWHH-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-chlorophenyl)-4-chlorobutanamide
CID 81263840
N-(2,4-dichlorophenyl)pent-4-enamide
CID 121218276
methyl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 823383
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
N-(2,4-dichlorophenyl)propanamide
CID 923083
4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
CID 60723512
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide
CID 19176295
N,N'-bis(2,4-dichlorophenyl)-2,2-dimethylpentanediamide
CID 6610958
1,3-dichloropropan-2-yl 4-(2,4-dichloroanilino)-4-oxobutanoate
CID 4667244
3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
CID 95909610

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dichlorophenyl)pentanamide?
The IUPAC name of 5-chloro-N-(2,4-dichlorophenyl)pentanamide (CID 28727917) is 5-chloro-N-(2,4-dichlorophenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2,4-dichlorophenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2,4-dichlorophenyl)pentanamide is O=C(CCCCCl)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-N-(2,4-dichlorophenyl)pentanamide?
The InChIKey is SVXZUKSBGZMWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c12-6-2-1-3-11(16)15-10-5-4-8(13)7-9(10)14/h4-5,7H,1-3,6H2,(H,15,16).
What are the key properties of 5-chloro-N-(2,4-dichlorophenyl)pentanamide?
5-chloro-N-(2,4-dichlorophenyl)pentanamide has a molecular weight of 280.58 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-dichlorophenyl)pentanamide is sourced from PubChem (CID 28727917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).