2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide

C20H20ClN3O3 — CID 8589010

IUPAC2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20ClN3O3/c21-17-5-2-1-4-16(17)20(27)23-13-18(25)22-12-14-7-9-15(10-8-14)24-11-3-6-19(24)26/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,25)(H,23,27)
InChIKeyXZEPHVVFBWODGO-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.51
Rot. Bonds6

About 2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide

2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide (PubChem CID 8589010) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
PubChem CID8589010
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H20ClN3O3/c21-17-5-2-1-4-16(17)20(27)23-13-18(25)22-12-14-7-9-15(10-8-14)24-11-3-6-19(24)26/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,25)(H,23,27)
InChIKeyXZEPHVVFBWODGO-UHFFFAOYSA-N
XLogP2.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 35075194
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720
N-[2-oxo-2-[[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]amino]ethyl]furan-2-carboxamide
CID 8589592
N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 43043526
5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide
CID 27171752
N-[2-oxo-2-[[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]amino]ethyl]thiophene-2-carboxamide
CID 8589532
2-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 27171286
3-(2,3-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 38932202
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide (CID 8589010) is 2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NCc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide?
The InChIKey is XZEPHVVFBWODGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-17-5-2-1-4-16(17)20(27)23-13-18(25)22-12-14-7-9-15(10-8-14)24-11-3-6-19(24)26/h1-2,4-5,7-10H,3,6,11-13H2,(H,22,25)(H,23,27).
What are the key properties of 2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide?
2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide has a molecular weight of 385.85 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]benzamide is sourced from PubChem (CID 8589010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).