N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide

C15H18ClNO2 — CID 4644990

IUPACN-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)C1CCCCC1=O
InChIInChI=1S/C15H18ClNO2/c1-10(18)17-15(11-6-8-12(16)9-7-11)13-4-2-3-5-14(13)19/h6-9,13,15H,2-5H2,1H3,(H,17,18)
InChIKeySEQXOXGNEPQESZ-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.28
Rot. Bonds3

About N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide

N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide (PubChem CID 4644990) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide
PubChem CID4644990
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(Cl)cc1)C1CCCCC1=O
InChIInChI=1S/C15H18ClNO2/c1-10(18)17-15(11-6-8-12(16)9-7-11)13-4-2-3-5-14(13)19/h6-9,13,15H,2-5H2,1H3,(H,17,18)
InChIKeySEQXOXGNEPQESZ-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide (CID 4644990) is N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide is CC(=O)NC(c1ccc(Cl)cc1)C1CCCCC1=O.
What is the InChIKey of N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide?
The InChIKey is SEQXOXGNEPQESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-10(18)17-15(11-6-8-12(16)9-7-11)13-4-2-3-5-14(13)19/h6-9,13,15H,2-5H2,1H3,(H,17,18).
What are the key properties of N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide?
N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide has a molecular weight of 279.77 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2-oxocyclohexyl)methyl]acetamide is sourced from PubChem (CID 4644990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).