4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide

C12H15Cl2NO2 — CID 63308071

IUPAC4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CCCCl
InChIInChI=1S/C12H15Cl2NO2/c1-2-17-11-6-5-9(14)8-10(11)15-12(16)4-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyCRKKDXAFXSTCIR-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.70
Rot. Bonds6

About 4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide

4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide (PubChem CID 63308071) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
PubChem CID63308071
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide
SMILESCCOc1ccc(Cl)cc1NC(=O)CCCCl
InChIInChI=1S/C12H15Cl2NO2/c1-2-17-11-6-5-9(14)8-10(11)15-12(16)4-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyCRKKDXAFXSTCIR-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-ethoxyphenyl)butanamide
CID 61062519
3-amino-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927898
3-(tert-butylamino)-N-(5-chloro-2-ethoxyphenyl)propanamide
CID 60927791
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypentanamide
CID 79204145
N-(5-chloro-2-ethoxyphenyl)-3-(cyclopropylamino)propanamide
CID 54862719
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 2563930
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091
N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
CID 79199775
3-amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbutanamide
CID 64683487
4-(4-chlorophenyl)sulfanyl-N-(2,5-diethoxyphenyl)butanamide
CID 16549738
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide?
The IUPAC name of 4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide (CID 63308071) is 4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide?
The canonical SMILES for 4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide is CCOc1ccc(Cl)cc1NC(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide?
The InChIKey is CRKKDXAFXSTCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c1-2-17-11-6-5-9(14)8-10(11)15-12(16)4-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide?
4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide has a molecular weight of 276.16 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-chloro-2-ethoxyphenyl)butanamide is sourced from PubChem (CID 63308071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).