1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea

C17H15Cl2N3O2 — CID 7209063

IUPAC1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H15Cl2N3O2/c18-11-6-7-14(19)15(8-11)21-17(24)20-12-9-16(23)22(10-12)13-4-2-1-3-5-13/h1-8,12H,9-10H2,(H2,20,21,24)/t12-/m0/s1
InChIKeyFCMRZHUVDUVBIB-LBPRGKRZSA-N
MW364.23 g/mol
LogP3.92
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea

1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea (PubChem CID 7209063) has the molecular formula C17H15Cl2N3O2 and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
PubChem CID7209063
Molecular FormulaC17H15Cl2N3O2
Molecular Weight364.23 g/mol
Exact Mass363.05
IUPAC Name1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
SMILESO=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C17H15Cl2N3O2/c18-11-6-7-14(19)15(8-11)21-17(24)20-12-9-16(23)22(10-12)13-4-2-1-3-5-13/h1-8,12H,9-10H2,(H2,20,21,24)/t12-/m0/s1
InChIKeyFCMRZHUVDUVBIB-LBPRGKRZSA-N
XLogP3.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 7215893
1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970493
1-(5-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970354
1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969476
1-(2,5-dimethylphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513500
1-(2-chlorophenyl)-3-[1-(3-cyanophenyl)-5-oxopyrrolidin-3-yl]urea
CID 166541380
1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513461
1-benzhydryl-3-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7549026
3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090
1-(2,4-dichlorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564322
N-[3-[(5-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 18564099
1-(2,5-difluorophenyl)-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547407

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea (CID 7209063) is 1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea is O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
The InChIKey is FCMRZHUVDUVBIB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H15Cl2N3O2/c18-11-6-7-14(19)15(8-11)21-17(24)20-12-9-16(23)22(10-12)13-4-2-1-3-5-13/h1-8,12H,9-10H2,(H2,20,21,24)/t12-/m0/s1.
What are the key properties of 1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea?
1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea has a molecular weight of 364.23 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea is sourced from PubChem (CID 7209063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).