N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide

C20H20N2O3 — CID 18115302

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC1CCOc2ccccc21)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H20N2O3/c23-19-9-4-11-22(19)15-6-3-5-14(13-15)20(24)21-17-10-12-25-18-8-2-1-7-16(17)18/h1-3,5-8,13,17H,4,9-12H2,(H,21,24)
InChIKeyAAWPOTYDBZDHCX-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.07
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 18115302) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID18115302
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESO=C(NC1CCOc2ccccc21)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C20H20N2O3/c23-19-9-4-11-22(19)15-6-3-5-14(13-15)20(24)21-17-10-12-25-18-8-2-1-7-16(17)18/h1-3,5-8,13,17H,4,9-12H2,(H,21,24)
InChIKeyAAWPOTYDBZDHCX-UHFFFAOYSA-N
XLogP3.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4229482
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(tetrazol-1-yl)benzamide
CID 39952228
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
N-(2-methylcyclohexyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 4063191
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042526
N-(1-cyclopropylpiperidin-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86921682
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8819694
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119456953
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119456952
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide (CID 18115302) is N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide is O=C(NC1CCOc2ccccc21)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is AAWPOTYDBZDHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19-9-4-11-22(19)15-6-3-5-14(13-15)20(24)21-17-10-12-25-18-8-2-1-7-16(17)18/h1-3,5-8,13,17H,4,9-12H2,(H,21,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 18115302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).