1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea

C17H16ClN3O2 — CID 7686904

IUPAC1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H16ClN3O2/c18-12-6-8-13(9-7-12)19-17(23)20-14-3-1-4-15(11-14)21-10-2-5-16(21)22/h1,3-4,6-9,11H,2,5,10H2,(H2,19,20,23)
InChIKeyQYCLTGOAOMNMOZ-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.11
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 7686904) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID7686904
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C17H16ClN3O2/c18-12-6-8-13(9-7-12)19-17(23)20-14-3-1-4-15(11-14)21-10-2-5-16(21)22/h1,3-4,6-9,11H,2,5,10H2,(H2,19,20,23)
InChIKeyQYCLTGOAOMNMOZ-UHFFFAOYSA-N
XLogP4.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 92541809
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238824
1-(4-chlorophenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide
CID 39639078
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 27870009
N'-(5-chloro-2-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 44901687
N'-(2,5-difluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679468
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17487375
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 7686904) is 1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is QYCLTGOAOMNMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-12-6-8-13(9-7-12)19-17(23)20-14-3-1-4-15(11-14)21-10-2-5-16(21)22/h1,3-4,6-9,11H,2,5,10H2,(H2,19,20,23).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 329.79 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 7686904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).