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

C20H18ClN3O3 — CID 1450082

IUPAC1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C20H18ClN3O3/c1-27-18-11-5-4-9-16(18)22-20(26)23-17-10-6-12-24(19(17)25)13-14-7-2-3-8-15(14)21/h2-12H,13H2,1H3,(H2,22,23,26)
InChIKeyXHZZMNTTZRYNDY-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.20
Rot. Bonds5

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

1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea (PubChem CID 1450082) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea
PubChem CID1450082
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C20H18ClN3O3/c1-27-18-11-5-4-9-16(18)22-20(26)23-17-10-6-12-24(19(17)25)13-14-7-2-3-8-15(14)21/h2-12H,13H2,1H3,(H2,22,23,26)
InChIKeyXHZZMNTTZRYNDY-UHFFFAOYSA-N
XLogP4.20
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-Dibenzyl-3-(2-methoxyphenyl)urea
CID 3595656
3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-phenyl-acrylamide; oxalic acid
CID 11731962
(E)-3-(2-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide;oxalic acid
CID 44350728
(E)-3-(3-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide;oxalic acid
CID 44350759
(E)-3-(4-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide;oxalic acid
CID 44350888
(E)-N-[4-(2-methoxyphenyl)piperazine-1-carbothioyl]-3-phenylprop-2-enamide
CID 1936855
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653638
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655390
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3238294
N-(3-chloro-4-methylphenyl)-N'-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}urea
CID 22430382
N-(3-Chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
CID 2201159

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea (CID 1450082) is 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea?
The InChIKey is XHZZMNTTZRYNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-27-18-11-5-4-9-16(18)22-20(26)23-17-10-6-12-24(19(17)25)13-14-7-2-3-8-15(14)21/h2-12H,13H2,1H3,(H2,22,23,26).
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea?
1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea has a molecular weight of 383.84 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 1450082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).