1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea

C21H20ClN3O2 — CID 52948954

IUPAC1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C21H20ClN3O2/c1-2-15-8-4-6-11-18(15)23-21(27)24-19-12-7-13-25(20(19)26)14-16-9-3-5-10-17(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
InChIKeyYTEISNROOAVZQK-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.76
Rot. Bonds5

About 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea

1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea (PubChem CID 52948954) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea
PubChem CID52948954
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C21H20ClN3O2/c1-2-15-8-4-6-11-18(15)23-21(27)24-19-12-7-13-25(20(19)26)14-16-9-3-5-10-17(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
InChIKeyYTEISNROOAVZQK-UHFFFAOYSA-N
XLogP4.76
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea (CID 52948954) is 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea?
The InChIKey is YTEISNROOAVZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-2-15-8-4-6-11-18(15)23-21(27)24-19-12-7-13-25(20(19)26)14-16-9-3-5-10-17(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea?
1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea has a molecular weight of 381.86 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-ethylphenyl)urea is sourced from PubChem (CID 52948954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).