1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea

C22H22ClN3O2 — CID 52943117

IUPAC1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2ccc(C)n(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C22H22ClN3O2/c1-3-16-7-6-9-18(13-16)24-22(28)25-20-12-11-15(2)26(21(20)27)14-17-8-4-5-10-19(17)23/h4-13H,3,14H2,1-2H3,(H2,24,25,28)
InChIKeyZZNTWONBKXCMCO-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.06
Rot. Bonds5

About 1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea

1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea (PubChem CID 52943117) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
PubChem CID52943117
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2ccc(C)n(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C22H22ClN3O2/c1-3-16-7-6-9-18(13-16)24-22(28)25-20-12-11-15(2)26(21(20)27)14-17-8-4-5-10-19(17)23/h4-13H,3,14H2,1-2H3,(H2,24,25,28)
InChIKeyZZNTWONBKXCMCO-UHFFFAOYSA-N
XLogP5.06
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.06
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
(R)-1-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)urea
CID 9980155
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
3-(3-Chloro-4-methylphenyl)-1,1-dibenzylurea
CID 3498635
(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-chloro-2-methylphenyl)carbamoylamino]-4-methyl-N-[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]pentanamide
CID 168280444
(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
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 6470463
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 8071321

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea (CID 52943117) is 1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea is CCc1cccc(NC(=O)Nc2ccc(C)n(Cc3ccccc3Cl)c2=O)c1.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The InChIKey is ZZNTWONBKXCMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-3-16-7-6-9-18(13-16)24-22(28)25-20-12-11-15(2)26(21(20)27)14-17-8-4-5-10-19(17)23/h4-13H,3,14H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
1-[1-[(2-chlorophenyl)methyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea has a molecular weight of 395.89 g/mol, XLogP of 5.06, 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]-6-methyl-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea is sourced from PubChem (CID 52943117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).