1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea

C18H17Cl2N3O2 — CID 43970493

IUPAC1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1c(Cl)cccc1NC(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17Cl2N3O2/c1-11-15(20)3-2-4-16(11)22-18(25)21-13-9-17(24)23(10-13)14-7-5-12(19)6-8-14/h2-8,13H,9-10H2,1H3,(H2,21,22,25)
InChIKeyLHTLALMMBXYEDX-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.23
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea

1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 43970493) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID43970493
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESCc1c(Cl)cccc1NC(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C18H17Cl2N3O2/c1-11-15(20)3-2-4-16(11)22-18(25)21-13-9-17(24)23(10-13)14-7-5-12(19)6-8-14/h2-8,13H,9-10H2,1H3,(H2,21,22,25)
InChIKeyLHTLALMMBXYEDX-UHFFFAOYSA-N
XLogP4.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-methylphenyl)-3-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215331
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 7215893
1-(2,5-dichlorophenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7209063
1-(2,3-dichlorophenyl)-3-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970048
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethylphenyl)urea
CID 43970488
1-(5-chloro-2-methylphenyl)-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970354
1-(2,3-dichlorophenyl)-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 41128760
1-(5-chloro-2-methoxyphenyl)-3-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969476
1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,4-dimethoxyphenyl)urea
CID 7215925
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2,5-dimethoxyphenyl)urea
CID 43970491
1-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-propan-2-ylphenyl)urea
CID 43970467
1-(4-acetylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970478

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 43970493) is 1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea is Cc1c(Cl)cccc1NC(=O)NC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is LHTLALMMBXYEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-11-15(20)3-2-4-16(11)22-18(25)21-13-9-17(24)23(10-13)14-7-5-12(19)6-8-14/h2-8,13H,9-10H2,1H3,(H2,21,22,25).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea?
1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 378.26 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 43970493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).