3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

C20H20Cl2N2O2 — CID 38932202

IUPAC3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20Cl2N2O2/c21-17-4-1-3-15(20(17)22)8-11-18(25)23-13-14-6-9-16(10-7-14)24-12-2-5-19(24)26/h1,3-4,6-7,9-10H,2,5,8,11-13H2,(H,23,25)
InChIKeyUWUFPIVCSPDSDR-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.37
Rot. Bonds6

About 3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (PubChem CID 38932202) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
PubChem CID38932202
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20Cl2N2O2/c21-17-4-1-3-15(20(17)22)8-11-18(25)23-13-14-6-9-16(10-7-14)24-12-2-5-19(24)26/h1,3-4,6-7,9-10H,2,5,8,11-13H2,(H,23,25)
InChIKeyUWUFPIVCSPDSDR-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dichlorophenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38924388
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
3-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 8589520
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
CID 8589010
(E)-3-(2,6-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 8589365
3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 134034707
3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 120609078
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209
4-(methylamino)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]butanamide
CID 119749212

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (CID 38932202) is 3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is O=C(CCc1cccc(Cl)c1Cl)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The InChIKey is UWUFPIVCSPDSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-17-4-1-3-15(20(17)22)8-11-18(25)23-13-14-6-9-16(10-7-14)24-12-2-5-19(24)26/h1,3-4,6-7,9-10H,2,5,8,11-13H2,(H,23,25).
What are the key properties of 3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide has a molecular weight of 391.30 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 38932202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).