N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide

C16H13N3O3 — CID 109010915

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide
SMILESN#Cc1ccccc1NCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13N3O3/c17-8-11-3-1-2-4-13(11)18-9-16(20)19-12-5-6-14-15(7-12)22-10-21-14/h1-7,18H,9-10H2,(H,19,20)
InChIKeyCWXVYFIMDFPNQN-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.34
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide (PubChem CID 109010915) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide
PubChem CID109010915
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide
SMILESN#Cc1ccccc1NCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13N3O3/c17-8-11-3-1-2-4-13(11)18-9-16(20)19-12-5-6-14-15(7-12)22-10-21-14/h1-7,18H,9-10H2,(H,19,20)
InChIKeyCWXVYFIMDFPNQN-UHFFFAOYSA-N
XLogP2.34
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N'-(2-cyanophenyl)propanediamide
CID 108956697
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151131
N-(3-chloro-4-fluorophenyl)-2-(2-cyanoanilino)acetamide
CID 109008740
N-(2-cyanophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 109042363
2-(2-anilino-5-nitroanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 17407591
N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide
CID 109010719
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methylanilino)acetamide
CID 26439030
N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide
CID 4806518
1-N'-(2-cyanophenyl)-1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1,1-dicarboxamide
CID 108983713
N-(1,3-benzodioxol-5-yl)-2-(2-ethyl-6-methylanilino)acetamide
CID 86930980
2-[2-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 22304874
N-(1,3-benzodioxol-5-yl)-1-[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8995765

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide (CID 109010915) is N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide is N#Cc1ccccc1NCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide?
The InChIKey is CWXVYFIMDFPNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c17-8-11-3-1-2-4-13(11)18-9-16(20)19-12-5-6-14-15(7-12)22-10-21-14/h1-7,18H,9-10H2,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide has a molecular weight of 295.30 g/mol, XLogP of 2.34, 4 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-cyanoanilino)acetamide is sourced from PubChem (CID 109010915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).