4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide

C23H20N2O5 — CID 56545342

IUPAC4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C23H20N2O5/c1-25(13-15-2-11-20-21(12-15)29-14-28-20)23(27)17-5-9-19(10-6-17)30-18-7-3-16(4-8-18)22(24)26/h2-12H,13-14H2,1H3,(H2,24,26)
InChIKeyBHGUMXSCFNAJKO-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.58
Rot. Bonds6

About 4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide

4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide (PubChem CID 56545342) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide
PubChem CID56545342
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C23H20N2O5/c1-25(13-15-2-11-20-21(12-15)29-14-28-20)23(27)17-5-9-19(10-6-17)30-18-7-3-16(4-8-18)22(24)26/h2-12H,13-14H2,1H3,(H2,24,26)
InChIKeyBHGUMXSCFNAJKO-UHFFFAOYSA-N
XLogP3.58
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide
CID 56545443
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-4-(methoxymethyl)-N-methylbenzamide
CID 30510128
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 18111575
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
N-(1,3-benzodioxol-5-ylmethyl)-3-(carbamoylamino)-N-methylbenzamide
CID 26444164
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 17458460
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
CID 51190200
5-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18116239
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(3S)-piperidin-3-yl]benzamide
CID 97200510

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide (CID 56545342) is 4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide?
The InChIKey is BHGUMXSCFNAJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-25(13-15-2-11-20-21(12-15)29-14-28-20)23(27)17-5-9-19(10-6-17)30-18-7-3-16(4-8-18)22(24)26/h2-12H,13-14H2,1H3,(H2,24,26).
What are the key properties of 4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide?
4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide has a molecular weight of 404.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).