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

C21H20ClN3O2 — CID 52946883

IUPAC1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
InChIKeyMYTRTEZPNKENOK-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.76
Rot. Bonds5

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

1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea (PubChem CID 52946883) 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-(3-ethylphenyl)urea.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
PubChem CID52946883
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
SMILESCCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
InChIInChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(16)22/h3-13H,2,14H2,1H3,(H2,23,24,27)
InChIKeyMYTRTEZPNKENOK-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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Related Compounds

1-(2-Chlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768229
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
(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
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-3-oxo-2,4-dihydroquinoxaline-1-carboxamide
CID 8071321
4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 6465286
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea (CID 52946883) is 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea is CCc1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea?
The InChIKey is MYTRTEZPNKENOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-2-15-7-5-9-17(13-15)23-21(27)24-19-11-6-12-25(20(19)26)14-16-8-3-4-10-18(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-(3-ethylphenyl)urea?
1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-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-(3-ethylphenyl)urea is sourced from PubChem (CID 52946883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).