1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea

C16H21ClN2O2 — CID 60577294

IUPAC1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
SMILESCOc1c(Cl)cccc1NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H21ClN2O2/c1-21-15-13(17)8-5-9-14(15)19-16(20)18-11-10-12-6-3-2-4-7-12/h5-6,8-9H,2-4,7,10-11H2,1H3,(H2,18,19,20)
InChIKeyQUXDTBDQMDEKOY-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.36
Rot. Bonds5

About 1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea

1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea (PubChem CID 60577294) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
PubChem CID60577294
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
SMILESCOc1c(Cl)cccc1NC(=O)NCCC1=CCCCC1
InChIInChI=1S/C16H21ClN2O2/c1-21-15-13(17)8-5-9-14(15)19-16(20)18-11-10-12-6-3-2-4-7-12/h5-6,8-9H,2-4,7,10-11H2,1H3,(H2,18,19,20)
InChIKeyQUXDTBDQMDEKOY-UHFFFAOYSA-N
XLogP4.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.36
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

1-[2-(cyclohexen-1-yl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 108988105
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-phenylphenyl)urea
CID 3772878
1-(4-chlorophenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea
CID 703714
1-N-(2-chlorophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132835
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
CID 108993986
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477025
N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
CID 54815757
(2S)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 8842766
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2483307

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
The IUPAC name of 1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea (CID 60577294) is 1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea is COc1c(Cl)cccc1NC(=O)NCCC1=CCCCC1.
What is the InChIKey of 1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
The InChIKey is QUXDTBDQMDEKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-21-15-13(17)8-5-9-14(15)19-16(20)18-11-10-12-6-3-2-4-7-12/h5-6,8-9H,2-4,7,10-11H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea?
1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea has a molecular weight of 308.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxyphenyl)-3-[2-(cyclohexen-1-yl)ethyl]urea is sourced from PubChem (CID 60577294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).