2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide

C18H20N2O — CID 170503321

IUPAC2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1cccc(CN2CCCC2)c1
InChIInChI=1S/C18H20N2O/c19-18(21)17-9-2-1-8-16(17)15-7-5-6-14(12-15)13-20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11,13H2,(H2,19,21)
InChIKeyFAEKQTLXZADMKF-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.05
Rot. Bonds4

About 2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide

2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide (PubChem CID 170503321) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
PubChem CID170503321
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1cccc(CN2CCCC2)c1
InChIInChI=1S/C18H20N2O/c19-18(21)17-9-2-1-8-16(17)15-7-5-6-14(12-15)13-20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11,13H2,(H2,19,21)
InChIKeyFAEKQTLXZADMKF-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 154260124
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
5-[3-(azepan-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402644
4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 139355118
3-(pyrrolidin-1-ylmethyl)benzenecarbothioamide
CID 24694260
3-methyl-4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenol
CID 170764195
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
3-[3-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117459650
2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
CID 20567167
3-phenyl-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-4-carboxylic acid
CID 56744798
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
3-methyl-6-[4-[3-(pyrrolidin-1-ylmethyl)phenyl]phenyl]benzotriazole-4-carboxylic acid
CID 85468922

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide (CID 170503321) is 2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide is NC(=O)c1ccccc1-c1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is FAEKQTLXZADMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-18(21)17-9-2-1-8-16(17)15-7-5-6-14(12-15)13-20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11,13H2,(H2,19,21).
What are the key properties of 2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide?
2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 170503321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).