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

C20H18ClN3O2 — CID 1450078

IUPAC1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESO=C(NCc1ccccc1)Nc1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C20H18ClN3O2/c21-17-10-5-4-9-16(17)14-24-12-6-11-18(19(24)25)23-20(26)22-13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H2,22,23,26)
InChIKeyRCNGVTVHKLPPJQ-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.87
Rot. Bonds5

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

1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea (PubChem CID 1450078) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
PubChem CID1450078
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESO=C(NCc1ccccc1)Nc1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C20H18ClN3O2/c21-17-10-5-4-9-16(17)14-24-12-6-11-18(19(24)25)23-20(26)22-13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H2,22,23,26)
InChIKeyRCNGVTVHKLPPJQ-UHFFFAOYSA-N
XLogP3.87
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea with MolForge

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Related Compounds

Ambenonium
CID 2131
4-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3554910
N-[1-(2-Chloro-benzyl)-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl]-2-methoxy-acetamide
CID 6488639
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]acetamide
CID 3828707
2-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 4261504
1-(2-Chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 52946739
2(1H)-Pyridinone, 3-(((2-chlorophenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454354
2-(3-benzylamino-2-oxo-1,2-dihydropyridin-1-yl)-N-(3,4-dichlorobenzyl)acetamide
CID 44241632
1-(1-Benzyl-2-oxo-1,2-dihydro-pyridin-3-yl)-3-cyclohexyl-urea
CID 1450035
1-Benzyl-3-[1-(2-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450059
1-Cyclohexyl-3-[1-(4-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450067
1-Benzyl-3-[1-(4-fluoro-benzyl)-2-oxo-1,2-dihydro-pyridin-3-yl]-urea
CID 1450072

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea (CID 1450078) is 1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea is O=C(NCc1ccccc1)Nc1cccn(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
The InChIKey is RCNGVTVHKLPPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-17-10-5-4-9-16(17)14-24-12-6-11-18(19(24)25)23-20(26)22-13-15-7-2-1-3-8-15/h1-12H,13-14H2,(H2,22,23,26).
What are the key properties of 1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea?
1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea has a molecular weight of 367.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 1450078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).