1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea

C20H18ClN3O2 — CID 72544951

IUPAC1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ncccc2OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c1-14-8-10-16(11-9-14)23-20(25)24-19-18(7-4-12-22-19)26-13-15-5-2-3-6-17(15)21/h2-12H,13H2,1H3,(H2,22,23,24,25)
InChIKeyWICRURHTJKGIEQ-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.27
Rot. Bonds5

About 1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea

1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea (PubChem CID 72544951) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea
PubChem CID72544951
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ncccc2OCc2ccccc2Cl)cc1
InChIInChI=1S/C20H18ClN3O2/c1-14-8-10-16(11-9-14)23-20(25)24-19-18(7-4-12-22-19)26-13-15-5-2-3-6-17(15)21/h2-12H,13H2,1H3,(H2,22,23,24,25)
InChIKeyWICRURHTJKGIEQ-UHFFFAOYSA-N
XLogP5.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea (CID 72544951) is 1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2ncccc2OCc2ccccc2Cl)cc1.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea?
The InChIKey is WICRURHTJKGIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-14-8-10-16(11-9-14)23-20(25)24-19-18(7-4-12-22-19)26-13-15-5-2-3-6-17(15)21/h2-12H,13H2,1H3,(H2,22,23,24,25).
What are the key properties of 1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea?
1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea has a molecular weight of 367.84 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methoxy]-2-pyridinyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 72544951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).