2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide

C18H18Cl3NO — CID 4264169

IUPAC2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl3NO/c1-11(2)17(12-3-6-14(19)7-4-12)18(23)22-10-13-5-8-15(20)9-16(13)21/h3-9,11,17H,10H2,1-2H3,(H,22,23)
InChIKeyKWRUYPUKDGXCFQ-UHFFFAOYSA-N
MW370.71 g/mol
LogP5.70
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide

2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide (PubChem CID 4264169) has the molecular formula C18H18Cl3NO and a molecular weight of 370.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide
PubChem CID4264169
Molecular FormulaC18H18Cl3NO
Molecular Weight370.71 g/mol
Exact Mass369.05
IUPAC Name2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C18H18Cl3NO/c1-11(2)17(12-3-6-14(19)7-4-12)18(23)22-10-13-5-8-15(20)9-16(13)21/h3-9,11,17H,10H2,1-2H3,(H,22,23)
InChIKeyKWRUYPUKDGXCFQ-UHFFFAOYSA-N
XLogP5.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
(2S)-4-[[2-(4-chlorophenyl)-3-methylbutanoyl]amino]-2-hydroxybutanoic acid
CID 107834611
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300954
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
CID 3603166
3-amino-N-[(2,4-dichlorophenyl)methyl]butanamide
CID 115154234
N-[(2,4-dichlorophenyl)methyl]-2-(4-methoxyphenoxy)propanamide
CID 21173910
N-[(2,4-dichlorophenyl)methyl]carbamoyl bromide
CID 115193657
N-[(4-chlorophenyl)methyl]-N-[2-[(2,4-dichlorophenyl)methylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 133237652
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 9173663
N-[(2S)-1-[(2,4-dichlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 40898930
N-[(2R)-1-[(2,4-dichlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 40898931
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide (CID 4264169) is 2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide is CC(C)C(C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide?
The InChIKey is KWRUYPUKDGXCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3NO/c1-11(2)17(12-3-6-14(19)7-4-12)18(23)22-10-13-5-8-15(20)9-16(13)21/h3-9,11,17H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide?
2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide has a molecular weight of 370.71 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 4264169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).