1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

C15H16ClN3O3 — CID 111475007

IUPAC1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NCC(O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H16ClN3O3/c1-19-8-2-3-12(14(19)21)18-15(22)17-9-13(20)10-4-6-11(16)7-5-10/h2-8,13,20H,9H2,1H3,(H2,17,18,22)
InChIKeySBWAIENPXABCGX-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.89
Rot. Bonds4

About 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (PubChem CID 111475007) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
PubChem CID111475007
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
SMILESCn1cccc(NC(=O)NCC(O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H16ClN3O3/c1-19-8-2-3-12(14(19)21)18-15(22)17-9-13(20)10-4-6-11(16)7-5-10/h2-8,13,20H,9H2,1H3,(H2,17,18,22)
InChIKeySBWAIENPXABCGX-UHFFFAOYSA-N
XLogP1.89
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2-methylsulfanylphenyl)urea
CID 110890570
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea
CID 110890330
1-(2-chlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110890317
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea
CID 110924216
1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-[[2-(methanesulfonamido)phenyl]methyl]urea
CID 166225600
1-(2,4-dichlorophenyl)-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 75876358
1-(2,5-dichlorophenyl)-3-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 52591003
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500
1-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 111750945
3,5-dichloro-N-(1-methyl-2-oxo-3-pyridinyl)benzamide
CID 86768884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea (CID 111475007) is 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is Cn1cccc(NC(=O)NCC(O)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
The InChIKey is SBWAIENPXABCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-19-8-2-3-12(14(19)21)18-15(22)17-9-13(20)10-4-6-11(16)7-5-10/h2-8,13,20H,9H2,1H3,(H2,17,18,22).
What are the key properties of 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea?
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea has a molecular weight of 321.76 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea is sourced from PubChem (CID 111475007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).