2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide

C18H19Cl2NO — CID 132651752

IUPAC2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)c(C)c1
InChIInChI=1S/C18H19Cl2NO/c1-4-17(13-6-5-11(2)12(3)9-13)21-18(22)15-8-7-14(19)10-16(15)20/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeyQVUHYFPEZDZVTO-UHFFFAOYSA-N
MW336.26 g/mol
LogP5.49
Rot. Bonds4

About 2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide

2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide (PubChem CID 132651752) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
PubChem CID132651752
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)c(C)c1
InChIInChI=1S/C18H19Cl2NO/c1-4-17(13-6-5-11(2)12(3)9-13)21-18(22)15-8-7-14(19)10-16(15)20/h5-10,17H,4H2,1-3H3,(H,21,22)
InChIKeyQVUHYFPEZDZVTO-UHFFFAOYSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.26
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
CID 100565359
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100760961
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132654231
2-chloro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100766332
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 133161430
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
2-(4-chlorophenyl)sulfanyl-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132656541
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(3,4-dimethylphenyl)propyl]propanamide
CID 99999779
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
5-bromo-2-chloro-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133164754

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide (CID 132651752) is 2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide is CCC(NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)c(C)c1.
What is the InChIKey of 2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide?
The InChIKey is QVUHYFPEZDZVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c1-4-17(13-6-5-11(2)12(3)9-13)21-18(22)15-8-7-14(19)10-16(15)20/h5-10,17H,4H2,1-3H3,(H,21,22).
What are the key properties of 2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide?
2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide has a molecular weight of 336.26 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide is sourced from PubChem (CID 132651752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).