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

C19H20N2O2 — CID 46466970

IUPACN-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-18(16-8-2-1-3-9-16)20-14-15-7-6-10-17(13-15)19(23)21-11-4-5-12-21/h1-3,6-10,13H,4-5,11-12,14H2,(H,20,22)
InChIKeyVUUKKYWRDFEIQV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.85
Rot. Bonds4

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

N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 46466970) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID46466970
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C19H20N2O2/c22-18(16-8-2-1-3-9-16)20-14-15-7-6-10-17(13-15)19(23)21-11-4-5-12-21/h1-3,6-10,13H,4-5,11-12,14H2,(H,20,22)
InChIKeyVUUKKYWRDFEIQV-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55722118
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 47057188
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
N-ethyl-4-[[3-(pyrrolidine-1-carbonyl)phenyl]methylcarbamoylamino]benzamide
CID 55804667
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858
N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843316
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-benzylbenzamide
CID 54844455
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 166182410

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (CID 46466970) is N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is O=C(NCc1cccc(C(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is VUUKKYWRDFEIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-18(16-8-2-1-3-9-16)20-14-15-7-6-10-17(13-15)19(23)21-11-4-5-12-21/h1-3,6-10,13H,4-5,11-12,14H2,(H,20,22).
What are the key properties of N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 308.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46466970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).