1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea

C19H20ClN3O3 — CID 43969476

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C19H20ClN3O3/c1-12-3-6-15(7-4-12)23-11-14(10-18(23)24)21-19(25)22-16-9-13(20)5-8-17(16)26-2/h3-9,14H,10-11H2,1-2H3,(H2,21,22,25)
InChIKeyOFSPDTYSBGABHD-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.58
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea

1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 43969476) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID43969476
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NC1CC(=O)N(c2ccc(C)cc2)C1
InChIInChI=1S/C19H20ClN3O3/c1-12-3-6-15(7-4-12)23-11-14(10-18(23)24)21-19(25)22-16-9-13(20)5-8-17(16)26-2/h3-9,14H,10-11H2,1-2H3,(H2,21,22,25)
InChIKeyOFSPDTYSBGABHD-UHFFFAOYSA-N
XLogP3.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 43970491
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,4-dimethoxyphenyl)urea
CID 7215925
1-(5-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970354
1-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 7552490
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 7215628
1-(2,5-dimethoxyphenyl)-3-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7552547
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7244222
1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513461
1-(3-chloro-4-fluorophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513912
1-(4-methoxyphenyl)-3-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513873
1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7209063
1-(2,5-dimethoxyphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544528

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea (CID 43969476) is 1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is COc1ccc(Cl)cc1NC(=O)NC1CC(=O)N(c2ccc(C)cc2)C1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is OFSPDTYSBGABHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-12-3-6-15(7-4-12)23-11-14(10-18(23)24)21-19(25)22-16-9-13(20)5-8-17(16)26-2/h3-9,14H,10-11H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 373.84 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 43969476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).