4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide

C18H17ClN4O3 — CID 7215951

IUPAC4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H17ClN4O3/c19-12-3-7-15(8-4-12)23-10-14(9-16(23)24)22-18(26)21-13-5-1-11(2-6-13)17(20)25/h1-8,14H,9-10H2,(H2,20,25)(H2,21,22,26)/t14-/m0/s1
InChIKeyUTKQJYZRHIGMAT-AWEZNQCLSA-N
MW372.81 g/mol
LogP2.37
Rot. Bonds4

About 4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide

4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide (PubChem CID 7215951) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
PubChem CID7215951
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
SMILESNC(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C18H17ClN4O3/c19-12-3-7-15(8-4-12)23-10-14(9-16(23)24)22-18(26)21-13-5-1-11(2-6-13)17(20)25/h1-8,14H,9-10H2,(H2,20,25)(H2,21,22,26)/t14-/m0/s1
InChIKeyUTKQJYZRHIGMAT-AWEZNQCLSA-N
XLogP2.37
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970478
1-(4-chlorophenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564438
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 43970467
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-ethylphenyl)urea
CID 18564502
4-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide
CID 7215443
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 7552035
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(difluoromethoxy)phenyl]urea
CID 18564528
(3S)-N-(4-carbamoylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9391052
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 43970488
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 7549174
1-(3-chloro-4-fluorophenyl)-3-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7513912
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 7215893

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The IUPAC name of 4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide (CID 7215951) is 4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide.
What is the SMILES notation for 4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The canonical SMILES for 4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide is NC(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
The InChIKey is UTKQJYZRHIGMAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-12-3-7-15(8-4-12)23-10-14(9-16(23)24)22-18(26)21-13-5-1-11(2-6-13)17(20)25/h1-8,14H,9-10H2,(H2,20,25)(H2,21,22,26)/t14-/m0/s1.
What are the key properties of 4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide?
4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide has a molecular weight of 372.81 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]benzamide is sourced from PubChem (CID 7215951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).