1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea

C19H18ClN3O3 — CID 43970478

IUPAC1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCC(=O)c1ccc(NC(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H18ClN3O3/c1-12(24)13-2-6-15(7-3-13)21-19(26)22-16-10-18(25)23(11-16)17-8-4-14(20)5-9-17/h2-9,16H,10-11H2,1H3,(H2,21,22,26)
InChIKeyAMOVAKGDQKMVJY-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.47
Rot. Bonds4

About 1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea

1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 43970478) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID43970478
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCC(=O)c1ccc(NC(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C19H18ClN3O3/c1-12(24)13-2-6-15(7-3-13)21-19(26)22-16-10-18(25)23(11-16)17-8-4-14(20)5-9-17/h2-9,16H,10-11H2,1H3,(H2,21,22,26)
InChIKeyAMOVAKGDQKMVJY-UHFFFAOYSA-N
XLogP3.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 7215951
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 43970467
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564438
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-ethylphenyl)urea
CID 18564502
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 43970488
(3S)-N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7375127
N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3114278
1-(4-acetylphenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215584
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 18564528
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 7552035
1-(3-chloro-4-fluorophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513912
N-[4-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7545434

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 43970478) is 1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea is CC(=O)c1ccc(NC(=O)NC2CC(=O)N(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is AMOVAKGDQKMVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12(24)13-2-6-15(7-3-13)21-19(26)22-16-10-18(25)23(11-16)17-8-4-14(20)5-9-17/h2-9,16H,10-11H2,1H3,(H2,21,22,26).
What are the key properties of 1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea?
1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 371.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 43970478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).