4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide

C20H19N3O2 — CID 86980033

IUPAC4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H19N3O2/c1-14-5-4-6-17(20(25)23-11-2-3-12-23)18(14)22-19(24)16-9-7-15(13-21)8-10-16/h4-10H,2-3,11-12H2,1H3,(H,22,24)
InChIKeyWCGKLGZFUPEENB-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.36
Rot. Bonds3

About 4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide

4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 86980033) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID86980033
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc(C#N)cc1
InChIInChI=1S/C20H19N3O2/c1-14-5-4-6-17(20(25)23-11-2-3-12-23)18(14)22-19(24)16-9-7-15(13-21)8-10-16/h4-10H,2-3,11-12H2,1H3,(H,22,24)
InChIKeyWCGKLGZFUPEENB-UHFFFAOYSA-N
XLogP3.36
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)sulfonylmethyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 112832711
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196
2,5-dichloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55643315
4-methoxy-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55643343
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]quinoline-2-carboxamide
CID 55643662
N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 86980028
3-[methoxy(methyl)sulfamoyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55672469
4-acetyl-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 43069430
N-[2-(3-aminopiperidine-1-carbonyl)-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119378723
N-[2-(1,4-diazepane-1-carbonyl)-6-methylphenyl]-2-fluorobenzamide;hydrochloride
CID 119418666
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 86980033) is 4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide is Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is WCGKLGZFUPEENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-5-4-6-17(20(25)23-11-2-3-12-23)18(14)22-19(24)16-9-7-15(13-21)8-10-16/h4-10H,2-3,11-12H2,1H3,(H,22,24).
What are the key properties of 4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide?
4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 86980033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).