2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C17H22ClN3O3 — CID 70805291

IUPAC2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NCC(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C17H22ClN3O3/c1-11(2)16(23)20-12-5-6-13(14(18)9-12)17(24)19-10-15(22)21-7-3-4-8-21/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyYMOUAPZTCQDGFV-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.29
Rot. Bonds5

About 2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 70805291) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID70805291
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)NCC(=O)N2CCCC2)c(Cl)c1
InChIInChI=1S/C17H22ClN3O3/c1-11(2)16(23)20-12-5-6-13(14(18)9-12)17(24)19-10-15(22)21-7-3-4-8-21/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyYMOUAPZTCQDGFV-UHFFFAOYSA-N
XLogP2.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70640697
3-chloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 112695851
3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide
CID 120500534
5-bromo-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112683751
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843840
2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide
CID 119776940
(2S)-2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119776951
2,4-dichloro-N-[2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 46472867
N-(2-amino-2-methylpropyl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119630765
4-hydroxy-2-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 103863578
2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543359
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 111459554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 70805291) is 2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is CC(C)C(=O)Nc1ccc(C(=O)NCC(=O)N2CCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is YMOUAPZTCQDGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-11(2)16(23)20-12-5-6-13(14(18)9-12)17(24)19-10-15(22)21-7-3-4-8-21/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of 2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 351.83 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpropanoylamino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 70805291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).