2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide

C21H19ClN2O3 — CID 78848282

IUPAC2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C21H19ClN2O3/c22-18-4-2-1-3-15(18)16-11-17(16)21(27)23-14-7-5-13(6-8-14)12-24-19(25)9-10-20(24)26/h1-8,16-17H,9-12H2,(H,23,27)
InChIKeyYSDOCSGOIOAWML-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.73
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 78848282) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
PubChem CID78848282
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C21H19ClN2O3/c22-18-4-2-1-3-15(18)16-11-17(16)21(27)23-14-7-5-13(6-8-14)12-24-19(25)9-10-20(24)26/h1-8,16-17H,9-12H2,(H,23,27)
InChIKeyYSDOCSGOIOAWML-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51300234
2-(2-chlorophenyl)-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 78866594
4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide
CID 51295036
2-(2-chlorophenyl)-N-(4-propan-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 55748842
2-chloro-4-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 95311713
3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]benzamide
CID 51295099
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55522273
2-(2-chlorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 55497102
cis-(1R,2S)-N-(4-acetamido-3-methoxyphenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 52528491
2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 51321278
2-(2-chlorophenyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 55763153

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide (CID 78848282) is 2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is YSDOCSGOIOAWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c22-18-4-2-1-3-15(18)16-11-17(16)21(27)23-14-7-5-13(6-8-14)12-24-19(25)9-10-20(24)26/h1-8,16-17H,9-12H2,(H,23,27).
What are the key properties of 2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78848282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).