4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide

C12H14Cl3NO — CID 63307571

IUPAC4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCCCl
InChIInChI=1S/C12H14Cl3NO/c1-16(12(17)3-2-4-13)8-9-5-10(14)7-11(15)6-9/h5-7H,2-4,8H2,1H3
InChIKeyBFWZFQCNISNNKB-UHFFFAOYSA-N
MW294.61 g/mol
LogP3.97
Rot. Bonds5

About 4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide

4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide (PubChem CID 63307571) has the molecular formula C12H14Cl3NO and a molecular weight of 294.61 g/mol. Its IUPAC name is 4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide
PubChem CID63307571
Molecular FormulaC12H14Cl3NO
Molecular Weight294.61 g/mol
Exact Mass293.01
IUPAC Name4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCCCl
InChIInChI=1S/C12H14Cl3NO/c1-16(12(17)3-2-4-13)8-9-5-10(14)7-11(15)6-9/h5-7H,2-4,8H2,1H3
InChIKeyBFWZFQCNISNNKB-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.61
LogP ≤ 53.97
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
3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide
CID 54872645
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62211961
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 61108177
5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide
CID 61422456
5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 112843143
N-[(3,5-dichlorophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide
CID 111496777
2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
CID 54872585

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide?
The IUPAC name of 4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide (CID 63307571) is 4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide.
What is the SMILES notation for 4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide?
The canonical SMILES for 4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide?
The InChIKey is BFWZFQCNISNNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3NO/c1-16(12(17)3-2-4-13)8-9-5-10(14)7-11(15)6-9/h5-7H,2-4,8H2,1H3.
What are the key properties of 4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide?
4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide has a molecular weight of 294.61 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide is sourced from PubChem (CID 63307571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).