N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide

C20H21N3O4 — CID 17435797

IUPACN-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESO=C(CN1CCCC1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O4/c24-19(12-23-9-3-4-10-23)22-16-6-2-1-5-15(16)20(25)21-14-7-8-17-18(11-14)27-13-26-17/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,21,25)(H,22,24)
InChIKeyHUEFPCIPEUPRKY-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.70
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide

N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (PubChem CID 17435797) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
PubChem CID17435797
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
SMILESO=C(CN1CCCC1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C20H21N3O4/c24-19(12-23-9-3-4-10-23)22-16-6-2-1-5-15(16)20(25)21-14-7-8-17-18(11-14)27-13-26-17/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,21,25)(H,22,24)
InChIKeyHUEFPCIPEUPRKY-UHFFFAOYSA-N
XLogP2.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 40813358
N-(1,3-benzodioxol-5-yl)-2-[[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetyl]amino]benzamide
CID 167889900
2-[[2-(benzhydrylamino)acetyl]amino]-N-(1,3-benzodioxol-5-yl)benzamide
CID 2516875
(3S)-2-[2-[2-(1,3-benzodioxol-5-ylcarbamoyl)anilino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 40794446
1-acetyl-N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 8850769
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylacetamide chloride
CID 21228925
N-(1,3-benzodioxol-5-yl)-2-[(2,2-diphenylacetyl)amino]benzamide
CID 2559897
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide
CID 3220947
2-chloro-N-[3-chloro-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide chloride
CID 53347149
N-(1,3-benzodioxol-5-yl)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]benzamide
CID 4833101

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide (CID 17435797) is N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is O=C(CN1CCCC1)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
The InChIKey is HUEFPCIPEUPRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(12-23-9-3-4-10-23)22-16-6-2-1-5-15(16)20(25)21-14-7-8-17-18(11-14)27-13-26-17/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,21,25)(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide?
N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 17435797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).