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

C23H24ClN3O3 — CID 55584627

IUPAC4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H24ClN3O3/c1-14(15-6-9-18(10-7-15)26-22(29)16-4-5-16)25-23(30)19-11-8-17(24)13-20(19)27-12-2-3-21(27)28/h6-11,13-14,16H,2-5,12H2,1H3,(H,25,30)(H,26,29)
InChIKeyOGBHZGHTYHUODQ-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.31
Rot. Bonds6

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

4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 55584627) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID55584627
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H24ClN3O3/c1-14(15-6-9-18(10-7-15)26-22(29)16-4-5-16)25-23(30)19-11-8-17(24)13-20(19)27-12-2-3-21(27)28/h6-11,13-14,16H,2-5,12H2,1H3,(H,25,30)(H,26,29)
InChIKeyOGBHZGHTYHUODQ-UHFFFAOYSA-N
XLogP4.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595098
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 38329748
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
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4-chloro-N-(1-hydroxypentan-3-yl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 109479043
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 46599128
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
4-amino-5-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methoxybenzamide;hydrochloride
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N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
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4-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9291780
4-chloro-N-[[(2S)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
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N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 55584627) is 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide is CC(NC(=O)c1ccc(Cl)cc1N1CCCC1=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is OGBHZGHTYHUODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-14(15-6-9-18(10-7-15)26-22(29)16-4-5-16)25-23(30)19-11-8-17(24)13-20(19)27-12-2-3-21(27)28/h6-11,13-14,16H,2-5,12H2,1H3,(H,25,30)(H,26,29).
What are the key properties of 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 425.92 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55584627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).