N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide

C23H18ClNO5 — CID 42776726

IUPACN,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H18ClNO5/c24-18-4-2-1-3-17(18)23(26)25(11-15-5-7-19-21(9-15)29-13-27-19)12-16-6-8-20-22(10-16)30-14-28-20/h1-10H,11-14H2
InChIKeyXWZDBEQHKNOWNC-UHFFFAOYSA-N
MW423.85 g/mol
LogP4.64
Rot. Bonds5

About N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide

N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide (PubChem CID 42776726) has the molecular formula C23H18ClNO5 and a molecular weight of 423.85 g/mol. Its IUPAC name is N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
PubChem CID42776726
Molecular FormulaC23H18ClNO5
Molecular Weight423.85 g/mol
Exact Mass423.09
IUPAC NameN,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C23H18ClNO5/c24-18-4-2-1-3-17(18)23(26)25(11-15-5-7-19-21(9-15)29-13-27-19)12-16-6-8-20-22(10-16)30-14-28-20/h1-10H,11-14H2
InChIKeyXWZDBEQHKNOWNC-UHFFFAOYSA-N
XLogP4.64
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
CID 42724637
N-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-oxoethyl]-2-chlorobenzamide
CID 30510147
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-oxopropyl]-2-chlorobenzamide
CID 30509898
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dichloro-N-methylbenzamide
CID 51190259
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(thiophene-2-carbonyl)benzamide
CID 51190159
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-oxo-1H-pyridine-3-carboxamide
CID 47013458
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-morpholin-4-ylsulfonylbenzamide
CID 55622631
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 55464922
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18161939
N-(1,3-benzodioxol-4-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 24718455

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide?
The IUPAC name of N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide (CID 42776726) is N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide.
What is the SMILES notation for N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide?
The canonical SMILES for N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide is O=C(c1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide?
The InChIKey is XWZDBEQHKNOWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO5/c24-18-4-2-1-3-17(18)23(26)25(11-15-5-7-19-21(9-15)29-13-27-19)12-16-6-8-20-22(10-16)30-14-28-20/h1-10H,11-14H2.
What are the key properties of N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide?
N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide has a molecular weight of 423.85 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide is sourced from PubChem (CID 42776726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).