N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide

C21H18N2O4 — CID 109010719

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide
SMILESO=C(CNc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H18N2O4/c24-21(23-16-8-11-19-20(12-16)26-14-25-19)13-22-15-6-9-18(10-7-15)27-17-4-2-1-3-5-17/h1-12,22H,13-14H2,(H,23,24)
InChIKeyOOGASLOTLIPTPK-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.26
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide (PubChem CID 109010719) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide
PubChem CID109010719
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide
SMILESO=C(CNc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C21H18N2O4/c24-21(23-16-8-11-19-20(12-16)26-14-25-19)13-22-15-6-9-18(10-7-15)27-17-4-2-1-3-5-17/h1-12,22H,13-14H2,(H,23,24)
InChIKeyOOGASLOTLIPTPK-UHFFFAOYSA-N
XLogP4.26
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 109009383
N-(1,3-benzodioxol-5-yl)-2-(4-iodoanilino)acetamide
CID 4806518
N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
CID 54812613
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-phenoxyphenyl)urea
CID 110372022
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 8746165
N-(3-acetylphenyl)-2-(4-phenoxyanilino)acetamide
CID 109009860
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-phenoxybenzoate
CID 2503162
N-(1,3-benzodioxol-5-yl)-2-(2-phenoxyethylsulfanyl)acetamide
CID 4794988
N-(1,3-benzodioxol-5-yl)-2-(2-cyanoanilino)acetamide
CID 109010915
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 8925714
2-(3-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 9098919

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide (CID 109010719) is N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide is O=C(CNc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide?
The InChIKey is OOGASLOTLIPTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c24-21(23-16-8-11-19-20(12-16)26-14-25-19)13-22-15-6-9-18(10-7-15)27-17-4-2-1-3-5-17/h1-12,22H,13-14H2,(H,23,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-phenoxyanilino)acetamide has a molecular weight of 362.39 g/mol, XLogP of 4.26, 6 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-(4-phenoxyanilino)acetamide is sourced from PubChem (CID 109010719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).