3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide

C14H19N3O2 — CID 61366263

IUPAC3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)CC2CCCN2)c1
InChIInChI=1S/C14H19N3O2/c15-14(19)11-4-1-3-10(7-11)9-17-13(18)8-12-5-2-6-16-12/h1,3-4,7,12,16H,2,5-6,8-9H2,(H2,15,19)(H,17,18)
InChIKeyFQRJEPAVPLOKNF-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.54
Rot. Bonds5

About 3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide

3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide (PubChem CID 61366263) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
PubChem CID61366263
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC(=O)CC2CCCN2)c1
InChIInChI=1S/C14H19N3O2/c15-14(19)11-4-1-3-10(7-11)9-17-13(18)8-12-5-2-6-16-12/h1,3-4,7,12,16H,2,5-6,8-9H2,(H2,15,19)(H,17,18)
InChIKeyFQRJEPAVPLOKNF-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119770329
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
3-[(1-pyrrolidin-2-ylpropan-2-ylamino)methyl]benzamide
CID 79540029
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119862577
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119847394
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
CID 61274140
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744906
3-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzene-1,3-dicarboxamide
CID 104955014
N-[(3-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119707933

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide (CID 61366263) is 3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide is NC(=O)c1cccc(CNC(=O)CC2CCCN2)c1.
What is the InChIKey of 3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide?
The InChIKey is FQRJEPAVPLOKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14(19)11-4-1-3-10(7-11)9-17-13(18)8-12-5-2-6-16-12/h1,3-4,7,12,16H,2,5-6,8-9H2,(H2,15,19)(H,17,18).
What are the key properties of 3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide?
3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide has a molecular weight of 261.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]benzamide is sourced from PubChem (CID 61366263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).