N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide

C14H18ClNO2 — CID 70913590

IUPACN-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide
SMILESCC(=O)CCC(C)C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-10(4-5-11(2)17)14(18)16(3)13-8-6-12(15)7-9-13/h6-10H,4-5H2,1-3H3
InChIKeyMJMXOIHTOFWCHN-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.31
Rot. Bonds5

About N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide

N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide (PubChem CID 70913590) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide
PubChem CID70913590
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC NameN-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide
SMILESCC(=O)CCC(C)C(=O)N(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO2/c1-10(4-5-11(2)17)14(18)16(3)13-8-6-12(15)7-9-13/h6-10H,4-5H2,1-3H3
InChIKeyMJMXOIHTOFWCHN-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide?
The IUPAC name of N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide (CID 70913590) is N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide.
What is the SMILES notation for N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide?
The canonical SMILES for N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide is CC(=O)CCC(C)C(=O)N(C)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide?
The InChIKey is MJMXOIHTOFWCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10(4-5-11(2)17)14(18)16(3)13-8-6-12(15)7-9-13/h6-10H,4-5H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide?
N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide has a molecular weight of 267.76 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N,2-dimethyl-5-oxohexanamide is sourced from PubChem (CID 70913590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).