N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide

C18H18N2O2 — CID 109044285

IUPACN-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H18N2O2/c21-17(19-16-6-2-1-3-7-16)14-8-10-15(11-9-14)18(22)20-12-4-5-13-20/h1-3,6-11H,4-5,12-13H2,(H,19,21)
InChIKeyXOVAMJFVLBGIPI-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.17
Rot. Bonds3

About N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide

N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide (PubChem CID 109044285) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
PubChem CID109044285
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
SMILESO=C(Nc1ccccc1)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H18N2O2/c21-17(19-16-6-2-1-3-7-16)14-8-10-15(11-9-14)18(22)20-12-4-5-13-20/h1-3,6-11H,4-5,12-13H2,(H,19,21)
InChIKeyXOVAMJFVLBGIPI-UHFFFAOYSA-N
XLogP3.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(phenylcarbamoylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532549
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
4-phenoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55532346
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-[4-(1,4-diazepane-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119417229
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide?
The IUPAC name of N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide (CID 109044285) is N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide.
What is the SMILES notation for N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide?
The canonical SMILES for N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide is O=C(Nc1ccccc1)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide?
The InChIKey is XOVAMJFVLBGIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17(19-16-6-2-1-3-7-16)14-8-10-15(11-9-14)18(22)20-12-4-5-13-20/h1-3,6-11H,4-5,12-13H2,(H,19,21).
What are the key properties of N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide?
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide has a molecular weight of 294.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide is sourced from PubChem (CID 109044285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).