N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C19H17N3O2 — CID 9260210

IUPACN-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESN#CCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H17N3O2/c20-12-11-14-3-7-16(8-4-14)21-19(24)15-5-9-17(10-6-15)22-13-1-2-18(22)23/h3-10H,1-2,11,13H2,(H,21,24)
InChIKeySYRCRSCFMGYDAV-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.13
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9260210) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9260210
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESN#CCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H17N3O2/c20-12-11-14-3-7-16(8-4-14)21-19(24)15-5-9-17(10-6-15)22-13-1-2-18(22)23/h3-10H,1-2,11,13H2,(H,21,24)
InChIKeySYRCRSCFMGYDAV-UHFFFAOYSA-N
XLogP3.13
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 27446201
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9371428
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391
N-(4-ethylsulfonylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 39862925

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 9260210) is N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is N#CCc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is SYRCRSCFMGYDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-12-11-14-3-7-16(8-4-14)21-19(24)15-5-9-17(10-6-15)22-13-1-2-18(22)23/h3-10H,1-2,11,13H2,(H,21,24).
What are the key properties of N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9260210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).