1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea

C15H16ClN3O2 — CID 17182579

IUPAC1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC(C)c1ccccn1
InChIInChI=1S/C15H16ClN3O2/c1-10(12-5-3-4-8-17-12)18-15(20)19-13-9-11(16)6-7-14(13)21-2/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyFXDSKYLFTMHMFR-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.63
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea

1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea (PubChem CID 17182579) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
PubChem CID17182579
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC(C)c1ccccn1
InChIInChI=1S/C15H16ClN3O2/c1-10(12-5-3-4-8-17-12)18-15(20)19-13-9-11(16)6-7-14(13)21-2/h3-10H,1-2H3,(H2,18,19,20)
InChIKeyFXDSKYLFTMHMFR-UHFFFAOYSA-N
XLogP3.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 51648180
1-(3-chlorophenyl)-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 41083408
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
N-(5-chloro-2-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4876524
1-(5-chloro-2-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147188
1-[2-(3-methoxypropoxy)phenyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94550940
1-(5-chloro-2-methoxyphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448751
N-(5-chloro-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168044
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea (CID 17182579) is 1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea is COc1ccc(Cl)cc1NC(=O)NC(C)c1ccccn1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea?
The InChIKey is FXDSKYLFTMHMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-10(12-5-3-4-8-17-12)18-15(20)19-13-9-11(16)6-7-14(13)21-2/h3-10H,1-2H3,(H2,18,19,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea?
1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea has a molecular weight of 305.77 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-(1-pyridin-2-ylethyl)urea is sourced from PubChem (CID 17182579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).