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

C19H20ClN3O2 — CID 55696103

IUPAC1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H20ClN3O2/c1-22(13-14-4-2-5-15(20)12-14)19(25)21-16-7-9-17(10-8-16)23-11-3-6-18(23)24/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,25)
InChIKeyDDEDIOIXIHZSEC-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.13
Rot. Bonds4

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

1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (PubChem CID 55696103) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
PubChem CID55696103
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
SMILESCN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C19H20ClN3O2/c1-22(13-14-4-2-5-15(20)12-14)19(25)21-16-7-9-17(10-8-16)23-11-3-6-18(23)24/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,25)
InChIKeyDDEDIOIXIHZSEC-UHFFFAOYSA-N
XLogP4.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27795184
N-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24545208
2-[(3-chlorophenyl)methyl-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41334479
1-[(3-fluorophenyl)methyl]-1-methyl-3-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]urea
CID 78892840
3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 87005905
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
(2S)-2-(3-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 36569893
2-(3-chlorophenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100517923
(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967422
1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 95597644
2-(3-chlorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100758441

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea (CID 55696103) is 1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is CN(Cc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
The InChIKey is DDEDIOIXIHZSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-22(13-14-4-2-5-15(20)12-14)19(25)21-16-7-9-17(10-8-16)23-11-3-6-18(23)24/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,25).
What are the key properties of 1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea?
1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea has a molecular weight of 357.84 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea is sourced from PubChem (CID 55696103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).