4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide

C14H19Cl2NO — CID 63308078

IUPAC4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)CCCCl
InChIInChI=1S/C14H19Cl2NO/c1-11(2)17(14(18)7-4-8-15)10-12-5-3-6-13(16)9-12/h3,5-6,9,11H,4,7-8,10H2,1-2H3
InChIKeyTZUXSLUWIWXCHT-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.10
Rot. Bonds6

About 4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide

4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide (PubChem CID 63308078) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
PubChem CID63308078
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide
SMILESCC(C)N(Cc1cccc(Cl)c1)C(=O)CCCCl
InChIInChI=1S/C14H19Cl2NO/c1-11(2)17(14(18)7-4-8-15)10-12-5-3-6-13(16)9-12/h3,5-6,9,11H,4,7-8,10H2,1-2H3
InChIKeyTZUXSLUWIWXCHT-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-[4-[(3-chlorophenyl)methyl-propan-2-ylamino]-4-oxobutyl]furan-2-carboxamide
CID 86927049
2-(2-aminoethoxy)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79473076
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)-N-propan-2-ylacetamide
CID 54871076
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
2-(1-aminocyclobutyl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 79854440
N-[(3-chlorophenyl)methyl]-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-4-phenoxybutanamide
CID 100616508
2-chloro-N-[(3-chlorophenyl)methyl]-N-(2-methylpropyl)acetamide
CID 39372981
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
N-[(3-chlorophenyl)methyl]-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 133239326
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-chlorophenyl)methyl]-N-propan-2-ylacetamide
CID 119723223
N-[1-(butylamino)-1-oxopropan-2-yl]-4-(4-chlorophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
CID 133257908

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide?
The IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide (CID 63308078) is 4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide?
The canonical SMILES for 4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide is CC(C)N(Cc1cccc(Cl)c1)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide?
The InChIKey is TZUXSLUWIWXCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-11(2)17(14(18)7-4-8-15)10-12-5-3-6-13(16)9-12/h3,5-6,9,11H,4,7-8,10H2,1-2H3.
What are the key properties of 4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide?
4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide has a molecular weight of 288.22 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutanamide is sourced from PubChem (CID 63308078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).