N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide

C19H17N3O2 — CID 109044383

IUPACN-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H17N3O2/c20-13-16-5-1-2-6-17(16)21-18(23)14-7-9-15(10-8-14)19(24)22-11-3-4-12-22/h1-2,5-10H,3-4,11-12H2,(H,21,23)
InChIKeyMXWJZVBADBMWMY-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.05
Rot. Bonds3

About N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide

N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 109044383) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
PubChem CID109044383
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H17N3O2/c20-13-16-5-1-2-6-17(16)21-18(23)14-7-9-15(10-8-14)19(24)22-11-3-4-12-22/h1-2,5-10H,3-4,11-12H2,(H,21,23)
InChIKeyMXWJZVBADBMWMY-UHFFFAOYSA-N
XLogP3.05
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(2,3-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044378
5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109104825
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196
N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 110295266
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
4-nitro-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 4932409
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide (CID 109044383) is N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide is N#Cc1ccccc1NC(=O)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is MXWJZVBADBMWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-13-16-5-1-2-6-17(16)21-18(23)14-7-9-15(10-8-14)19(24)22-11-3-4-12-22/h1-2,5-10H,3-4,11-12H2,(H,21,23).
What are the key properties of N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide?
N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 319.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 109044383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).