1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea

C21H19Cl2N3O2 — CID 52945505

IUPAC1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2cc(Cl)cn(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C21H19Cl2N3O2/c1-2-14-6-5-8-17(10-14)24-21(28)25-19-11-16(22)13-26(20(19)27)12-15-7-3-4-9-18(15)23/h3-11,13H,2,12H2,1H3,(H2,24,25,28)
InChIKeyLUBHRJTUMDADIV-UHFFFAOYSA-N
MW416.31 g/mol
LogP5.41
Rot. Bonds5

About 1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea

1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea (PubChem CID 52945505) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is 1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea.

Molecular Properties

Compound Name1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
PubChem CID52945505
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC Name1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2cc(Cl)cn(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C21H19Cl2N3O2/c1-2-14-6-5-8-17(10-14)24-21(28)25-19-11-16(22)13-26(20(19)27)12-15-7-3-4-9-18(15)23/h3-11,13H,2,12H2,1H3,(H2,24,25,28)
InChIKeyLUBHRJTUMDADIV-UHFFFAOYSA-N
XLogP5.41
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.31
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Chlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768229
(2S)-2-{[(2-chlorophenyl)methyl][(4-fluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645834
2-{[(2-chlorophenyl)methyl][(2,4-difluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645837
6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione
CID 156905881
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]-3-phenylpropanamide
CID 168297674
2-[[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2469805
1-(2-Chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 52946739
(R)-1-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)-3-phenylurea
CID 57888949
6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione
CID 156905883
2-{[(3-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645835
2-{[(4-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645836
2-{[(2-chlorophenyl)methyl](naphthalen-1-ylcarbamoyl)amino}-N-hydroxypropanamide
CID 23645839

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The IUPAC name of 1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea (CID 52945505) is 1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea.
What is the SMILES notation for 1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The canonical SMILES for 1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea is CCc1cccc(NC(=O)Nc2cc(Cl)cn(Cc3ccccc3Cl)c2=O)c1.
What is the InChIKey of 1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The InChIKey is LUBHRJTUMDADIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c1-2-14-6-5-8-17(10-14)24-21(28)25-19-11-16(22)13-26(20(19)27)12-15-7-3-4-9-18(15)23/h3-11,13H,2,12H2,1H3,(H2,24,25,28).
What are the key properties of 1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea has a molecular weight of 416.31 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea is sourced from PubChem (CID 52945505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).