5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide

C15H22ClNO — CID 43346985

IUPAC5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
SMILESCc1ccc(CN(C)C(=O)CCCCCl)c(C)c1
InChIInChI=1S/C15H22ClNO/c1-12-7-8-14(13(2)10-12)11-17(3)15(18)6-4-5-9-16/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyPJYWPHCSBDIDDC-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.67
Rot. Bonds6

About 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide

5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide (PubChem CID 43346985) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
PubChem CID43346985
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
SMILESCc1ccc(CN(C)C(=O)CCCCCl)c(C)c1
InChIInChI=1S/C15H22ClNO/c1-12-7-8-14(13(2)10-12)11-17(3)15(18)6-4-5-9-16/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyPJYWPHCSBDIDDC-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[(2,4-dimethylphenyl)methyl]-N-methylhexanamide
CID 60940329
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
3-amino-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685871
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2,4-dimethylphenyl)methyl]-N-methylbutanamide
CID 18117086
5-(2,4-dimethylphenyl)-N-methylpentanehydrazide
CID 116845214
2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpropanamide
CID 43346987
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
5-[(2,4-dimethylphenyl)methyl-methylamino]pentanoic acid
CID 115219079
5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide
CID 60948566
N-[(2,4-dimethylphenyl)methyl]-N-methylbut-2-enamide
CID 78911940
N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide
CID 100559271

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide?
The IUPAC name of 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide (CID 43346985) is 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide is Cc1ccc(CN(C)C(=O)CCCCCl)c(C)c1.
What is the InChIKey of 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide?
The InChIKey is PJYWPHCSBDIDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12-7-8-14(13(2)10-12)11-17(3)15(18)6-4-5-9-16/h7-8,10H,4-6,9,11H2,1-3H3.
What are the key properties of 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide?
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide has a molecular weight of 267.80 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 43346985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).