1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea

C16H17ClN2O2 — CID 23931434

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-11(12-6-4-3-5-7-12)18-16(20)19-14-10-13(17)8-9-15(14)21-2/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyHKIMBVXBKZCGJB-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.23
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea (PubChem CID 23931434) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
PubChem CID23931434
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC(C)c1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-11(12-6-4-3-5-7-12)18-16(20)19-14-10-13(17)8-9-15(14)21-2/h3-11H,1-2H3,(H2,18,19,20)
InChIKeyHKIMBVXBKZCGJB-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-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
2-N-(5-chloro-2-methoxyphenyl)-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135673
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(1-phenylethyl)urea
CID 108988820
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
CID 17182579
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 7830809
(2R)-N-(5-chloro-2-methoxyphenyl)-2-methoxy-2-phenylacetamide
CID 815936
N-[3-[1-(3-chlorophenyl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 47033008
1-(5-chloro-2-methoxyphenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108875482

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea (CID 23931434) is 1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea is COc1ccc(Cl)cc1NC(=O)NC(C)c1ccccc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea?
The InChIKey is HKIMBVXBKZCGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(12-6-4-3-5-7-12)18-16(20)19-14-10-13(17)8-9-15(14)21-2/h3-11H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)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-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea is sourced from PubChem (CID 23931434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).