3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide

C18H18N2O2 — CID 71189662

IUPAC3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C18H18N2O2/c19-17(21)15-7-3-5-13(11-15)14-6-4-8-16(12-14)18(22)20-9-1-2-10-20/h3-8,11-12H,1-2,9-10H2,(H2,19,21)
InChIKeyNNSMQWVDDBIJOX-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.69
Rot. Bonds3

About 3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide

3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 71189662) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID71189662
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1
InChIInChI=1S/C18H18N2O2/c19-17(21)15-7-3-5-13(11-15)14-6-4-8-16(12-14)18(22)20-9-1-2-10-20/h3-8,11-12H,1-2,9-10H2,(H2,19,21)
InChIKeyNNSMQWVDDBIJOX-UHFFFAOYSA-N
XLogP2.69
TPSA63.40 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
4-(azepane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 22001051
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 53218719
3-(azepane-1-carbonyl)benzamide;hexanediamide
CID 66769264
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine
CID 143483937
5-[3-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 72884179
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid
CID 74892517
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492
3-(4-piperidin-1-ylphenyl)benzamide
CID 68760605

Frequently Asked Questions

What is the IUPAC name of 3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 71189662) is 3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide is NC(=O)c1cccc(-c2cccc(C(=O)N3CCCC3)c2)c1.
What is the InChIKey of 3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is NNSMQWVDDBIJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-17(21)15-7-3-5-13(11-15)14-6-4-8-16(12-14)18(22)20-9-1-2-10-20/h3-8,11-12H,1-2,9-10H2,(H2,19,21).
What are the key properties of 3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 71189662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).