4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide

C19H21N3O2 — CID 119513146

IUPAC4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c23-18(21-13-17-7-4-12-20-17)15-8-10-16(11-9-15)22-19(24)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,20H,4,7,12-13H2,(H,21,23)(H,22,24)
InChIKeyGFEXVBSNDAAWRX-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.42
Rot. Bonds5

About 4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide

4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119513146) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119513146
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c23-18(21-13-17-7-4-12-20-17)15-8-10-16(11-9-15)22-19(24)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,20H,4,7,12-13H2,(H,21,23)(H,22,24)
InChIKeyGFEXVBSNDAAWRX-UHFFFAOYSA-N
XLogP2.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride
CID 119514556
N-[3-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119510692
4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512475
4-[(4-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510406
N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide
CID 119725877
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
CID 53251569
1-(4-hydroxyphenyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235796
N-[(1R,2R)-2-[[(2S)-pyrrolidin-2-yl]methylamino]cyclohexyl]benzamide
CID 102525382

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119513146) is 4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(NCC1CCCN1)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is GFEXVBSNDAAWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(21-13-17-7-4-12-20-17)15-8-10-16(11-9-15)22-19(24)14-5-2-1-3-6-14/h1-3,5-6,8-11,17,20H,4,7,12-13H2,(H,21,23)(H,22,24).
What are the key properties of 4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide?
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119513146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).