2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide

C18H23ClN2O2 — CID 112991074

IUPAC2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)Cc1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C18H23ClN2O2/c19-16-8-6-15(7-9-16)12-17(22)21-13-18(23)20-11-10-14-4-2-1-3-5-14/h4,6-9H,1-3,5,10-13H2,(H,20,23)(H,21,22)
InChIKeyPEFOVNFNAKNQOP-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.01
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide

2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide (PubChem CID 112991074) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
PubChem CID112991074
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
SMILESO=C(CNC(=O)Cc1ccc(Cl)cc1)NCCC1=CCCCC1
InChIInChI=1S/C18H23ClN2O2/c19-16-8-6-15(7-9-16)12-17(22)21-13-18(23)20-11-10-14-4-2-1-3-5-14/h4,6-9H,1-3,5,10-13H2,(H,20,23)(H,21,22)
InChIKeyPEFOVNFNAKNQOP-UHFFFAOYSA-N
XLogP3.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 108993859
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 958817
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
CID 108993986
methyl N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]carbamate
CID 112991092
2-[3-[(4-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 122174912
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2-(4-chloro-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55898788
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-ylacetamide
CID 27666304

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide (CID 112991074) is 2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide is O=C(CNC(=O)Cc1ccc(Cl)cc1)NCCC1=CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide?
The InChIKey is PEFOVNFNAKNQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c19-16-8-6-15(7-9-16)12-17(22)21-13-18(23)20-11-10-14-4-2-1-3-5-14/h4,6-9H,1-3,5,10-13H2,(H,20,23)(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide has a molecular weight of 334.85 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 112991074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).