1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea

C20H22ClN3O2 — CID 110413373

IUPAC1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CC(=O)N(CCc2ccccc2)C1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c21-17-7-4-8-18(12-17)23-20(26)22-13-16-11-19(25)24(14-16)10-9-15-5-2-1-3-6-15/h1-8,12,16H,9-11,13-14H2,(H2,22,23,26)
InChIKeyWAKPLAQUIWYWKX-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.55
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea

1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea (PubChem CID 110413373) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
PubChem CID110413373
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
SMILESO=C(NCC1CC(=O)N(CCc2ccccc2)C1)Nc1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3O2/c21-17-7-4-8-18(12-17)23-20(26)22-13-16-11-19(25)24(14-16)10-9-15-5-2-1-3-6-15/h1-8,12,16H,9-11,13-14H2,(H2,22,23,26)
InChIKeyWAKPLAQUIWYWKX-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-3-(4-chlorophenyl)urea
CID 3025488
2-(4-chlorophenyl)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640183
1-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 96541027
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
2-(4-chlorophenoxy)-N-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640187
1-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(6-phenylpyridazin-3-yl)urea
CID 166234843
4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 71683623
5-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 167826538
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
cis-(1R,2S)-2-(3,4-dichlorophenyl)-N-[[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 96535343
1-[2-(3-chlorophenyl)ethyl]-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185855

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea (CID 110413373) is 1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea is O=C(NCC1CC(=O)N(CCc2ccccc2)C1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
The InChIKey is WAKPLAQUIWYWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-17-7-4-8-18(12-17)23-20(26)22-13-16-11-19(25)24(14-16)10-9-15-5-2-1-3-6-15/h1-8,12,16H,9-11,13-14H2,(H2,22,23,26).
What are the key properties of 1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea?
1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea has a molecular weight of 371.87 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea is sourced from PubChem (CID 110413373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).