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

C16H17ClN2O2 — CID 51168567

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(12-6-5-7-13(17)10-12)18-16(20)19-14-8-3-4-9-15(14)21-2/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyPJRFMEKAILPKTN-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.23
Rot. Bonds4

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

1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 51168567) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
PubChem CID51168567
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-11(12-6-5-7-13(17)10-12)18-16(20)19-14-8-3-4-9-15(14)21-2/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyPJRFMEKAILPKTN-UHFFFAOYSA-N
XLogP4.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 47033008
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
1-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 27869518
1-[1-(3-chlorophenyl)ethyl]-3-[2-(1,3-thiazol-4-ylmethoxy)phenyl]urea
CID 51131972
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(2-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108866531
1-[1-(3,4-diethoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 133204349
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-fluoro-2-methylphenyl)urea
CID 51945133
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 7944732
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 42701995
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea (CID 51168567) is 1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is PJRFMEKAILPKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(12-6-5-7-13(17)10-12)18-16(20)19-14-8-3-4-9-15(14)21-2/h3-11H,1-2H3,(H2,18,19,20).
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea?
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 304.78 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 51168567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).