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

C21H24ClN3O2 — CID 87005905

IUPAC1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
SMILESCN(Cc1cccc(Cl)c1)C(=O)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C21H24ClN3O2/c1-24(14-16-7-5-10-18(22)13-16)21(27)23-19(17-8-3-2-4-9-17)15-25-12-6-11-20(25)26/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3,(H,23,27)
InChIKeyHPENWUNLDMKWNB-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.85
Rot. Bonds6

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

1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea (PubChem CID 87005905) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
PubChem CID87005905
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
SMILESCN(Cc1cccc(Cl)c1)C(=O)NC(CN1CCCC1=O)c1ccccc1
InChIInChI=1S/C21H24ClN3O2/c1-24(14-16-7-5-10-18(22)13-16)21(27)23-19(17-8-3-2-4-9-17)15-25-12-6-11-20(25)26/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3,(H,23,27)
InChIKeyHPENWUNLDMKWNB-UHFFFAOYSA-N
XLogP3.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-1-methyl-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 55696103
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
(2S)-2-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 61417413
1-(cyclopropylmethyl)-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-propylurea
CID 87005903
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]benzamide
CID 94198349
2-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 47043433
1-[(3-chlorophenyl)methyl]-1,2-dimethyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111305930
N-[3-[(3-chlorophenyl)methyl-methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 46612416
2-methoxy-N-[(1S)-2-(2-oxoazepan-1-yl)-1-phenylethyl]acetamide
CID 94799256
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyridine-4-carboxamide
CID 94029267
(2S)-2-[[(3-chlorophenyl)methyl-methylcarbamoyl]amino]-3-cyclohexylpropanoic acid
CID 156884066
3-methoxy-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]thiophene-2-carboxamide
CID 96549349

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea (CID 87005905) is 1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea is CN(Cc1cccc(Cl)c1)C(=O)NC(CN1CCCC1=O)c1ccccc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea?
The InChIKey is HPENWUNLDMKWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-24(14-16-7-5-10-18(22)13-16)21(27)23-19(17-8-3-2-4-9-17)15-25-12-6-11-20(25)26/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3,(H,23,27).
What are the key properties of 1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea?
1-[(3-chlorophenyl)methyl]-1-methyl-3-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea has a molecular weight of 385.90 g/mol, XLogP of 3.85, 6 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-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea is sourced from PubChem (CID 87005905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).