5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide

C14H20ClNO — CID 43578825

IUPAC5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
SMILESCc1ccccc1CN(C)C(=O)CCCCCl
InChIInChI=1S/C14H20ClNO/c1-12-7-3-4-8-13(12)11-16(2)14(17)9-5-6-10-15/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyCILJOSLLMMZUME-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.36
Rot. Bonds6

About 5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide

5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide (PubChem CID 43578825) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
PubChem CID43578825
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
SMILESCc1ccccc1CN(C)C(=O)CCCCCl
InChIInChI=1S/C14H20ClNO/c1-12-7-3-4-8-13(12)11-16(2)14(17)9-5-6-10-15/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyCILJOSLLMMZUME-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.36
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

3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
4-(4-acetylphenoxy)-N-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 78781704
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 43565136
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 60849544
3-(4-fluorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 134049187
5-chloro-N-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methyl]-N-methylpentanamide
CID 60948566
4-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzoic acid
CID 119179454
N-[(2-bromophenyl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 134018541

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide (CID 43578825) is 5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide is Cc1ccccc1CN(C)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide?
The InChIKey is CILJOSLLMMZUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-12-7-3-4-8-13(12)11-16(2)14(17)9-5-6-10-15/h3-4,7-8H,5-6,9-11H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide?
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide has a molecular weight of 253.77 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 43578825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).