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

C20H18ClN3O2 — CID 52946882

IUPAC1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C20H18ClN3O2/c1-14-6-4-8-16(12-14)22-20(26)23-18-10-5-11-24(19(18)25)13-15-7-2-3-9-17(15)21/h2-12H,13H2,1H3,(H2,22,23,26)
InChIKeyLWAIDLWWELLEOD-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.50
Rot. Bonds4

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

1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea (PubChem CID 52946882) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea
PubChem CID52946882
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C20H18ClN3O2/c1-14-6-4-8-16(12-14)22-20(26)23-18-10-5-11-24(19(18)25)13-15-7-2-3-9-17(15)21/h2-12H,13H2,1H3,(H2,22,23,26)
InChIKeyLWAIDLWWELLEOD-UHFFFAOYSA-N
XLogP4.50
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.50
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-(3-methylphenyl)urea?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea (CID 52946882) is 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea?
The InChIKey is LWAIDLWWELLEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-14-6-4-8-16(12-14)22-20(26)23-18-10-5-11-24(19(18)25)13-15-7-2-3-9-17(15)21/h2-12H,13H2,1H3,(H2,22,23,26).
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea?
1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-methylphenyl)urea has a molecular weight of 367.84 g/mol, XLogP of 4.50, 4 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-(3-methylphenyl)urea is sourced from PubChem (CID 52946882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).