1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

C20H21Cl2N3O2 — CID 30692289

IUPAC1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESC[C@@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2/c1-13(15-6-9-17(21)18(22)11-15)24-20(27)23-12-14-4-7-16(8-5-14)25-10-2-3-19(25)26/h4-9,11,13H,2-3,10,12H2,1H3,(H2,23,24,27)/t13-/m1/s1
InChIKeyCHKYCDMMTAVLLR-CYBMUJFWSA-N
MW406.31 g/mol
LogP4.68
Rot. Bonds5

About 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea

1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (PubChem CID 30692289) has the molecular formula C20H21Cl2N3O2 and a molecular weight of 406.31 g/mol. Its IUPAC name is 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
PubChem CID30692289
Molecular FormulaC20H21Cl2N3O2
Molecular Weight406.31 g/mol
Exact Mass405.10
IUPAC Name1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
SMILESC[C@@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H21Cl2N3O2/c1-13(15-6-9-17(21)18(22)11-15)24-20(27)23-12-14-4-7-16(8-5-14)25-10-2-3-19(25)26/h4-9,11,13H,2-3,10,12H2,1H3,(H2,23,24,27)/t13-/m1/s1
InChIKeyCHKYCDMMTAVLLR-CYBMUJFWSA-N
XLogP4.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea with MolForge

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Related Compounds

N-butan-2-yl-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 51127537
(2R)-N-[(2R)-butan-2-yl]-2-[[4-(2-oxopiperidin-1-yl)phenyl]methylcarbamoylamino]propanamide
CID 52527330
2-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24622415
1-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-(5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepin-3-ylmethyl)urea
CID 138016114
2-(2,4-dichlorophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;ethane
CID 144509414
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 17489033
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9427052
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
2-(methylamino)-N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119755928
1-[(1R)-1-(furan-2-yl)ethyl]-3-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 94166154
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The IUPAC name of 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea (CID 30692289) is 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The canonical SMILES for 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is C[C@@H](NC(=O)NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
The InChIKey is CHKYCDMMTAVLLR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21Cl2N3O2/c1-13(15-6-9-17(21)18(22)11-15)24-20(27)23-12-14-4-7-16(8-5-14)25-10-2-3-19(25)26/h4-9,11,13H,2-3,10,12H2,1H3,(H2,23,24,27)/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea?
1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea has a molecular weight of 406.31 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea is sourced from PubChem (CID 30692289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).