1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea

C16H17ClN2O2 — CID 108868700

IUPAC1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-15-4-2-3-12(11-15)9-10-18-16(20)19-14-7-5-13(17)6-8-14/h2-8,11H,9-10H2,1H3,(H2,18,19,20)
InChIKeyIEWSSZVXRKSODH-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea

1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea (PubChem CID 108868700) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
PubChem CID108868700
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-15-4-2-3-12(11-15)9-10-18-16(20)19-14-7-5-13(17)6-8-14/h2-8,11H,9-10H2,1H3,(H2,18,19,20)
InChIKeyIEWSSZVXRKSODH-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

AG-26
CID 727787
3-(4-chlorophenyl)-1-{3-[(1E)-2-(4-methoxyphenyl)ethenyl]phenyl}urea
CID 138393289
N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786
1-(2,4-Difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-(4-Chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 727786
1-(P-Anisyl)-3-benzylurea
CID 2822852
1-(M-Anisyl)-3-benzylurea
CID 2822865
1-{3-[(3-Chloro-5-Methoxybenzyl)amino]propyl}-3-Phenylurea
CID 60195001
1-[2-(4-Chloro-phenyl)-1-methyl-ethyl]-1-methyl-3-(4-phenoxy-phenyl)-urea
CID 10927348
N-(4-ethoxybenzyl)-N'-phenylurea
CID 757706
1-(4-Chloro-2-methylphenyl)-3-(3-methoxybenzyl)thiourea
CID 895511
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)urea
CID 971380

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea (CID 108868700) is 1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea is COc1cccc(CCNC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is IEWSSZVXRKSODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-15-4-2-3-12(11-15)9-10-18-16(20)19-14-7-5-13(17)6-8-14/h2-8,11H,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea?
1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 304.78 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108868700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).