N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide

C13H16ClNO3 — CID 60637672

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCC(C)=O
InChIInChI=1S/C13H16ClNO3/c1-8-6-11(12(18-3)7-10(8)14)15-13(17)5-4-9(2)16/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyCLKDICUEGAMELA-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.96
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide (PubChem CID 60637672) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
PubChem CID60637672
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCC(C)=O
InChIInChI=1S/C13H16ClNO3/c1-8-6-11(12(18-3)7-10(8)14)15-13(17)5-4-9(2)16/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKeyCLKDICUEGAMELA-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-5-hydroxypentanamide
CID 79018979
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(methylamino)acetamide
CID 24702273
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-4-phenylbutanamide
CID 9397958
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 19220940
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 9397630
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 4799937
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(diaminomethylideneamino)propanamide;hydroiodide
CID 111630099
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide
CID 115162783
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016508
3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113117237
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955473

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide (CID 60637672) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide is COc1cc(Cl)c(C)cc1NC(=O)CCC(C)=O.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide?
The InChIKey is CLKDICUEGAMELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-8-6-11(12(18-3)7-10(8)14)15-13(17)5-4-9(2)16/h6-7H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide has a molecular weight of 269.73 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide is sourced from PubChem (CID 60637672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).