N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide

C18H16ClNO3 — CID 42724637

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C18H16ClNO3/c19-15-4-2-1-3-14(15)18(21)20(13-6-7-13)10-12-5-8-16-17(9-12)23-11-22-16/h1-5,8-9,13H,6-7,10-11H2
InChIKeyJTBVEHYBKNCJRH-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.87
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide (PubChem CID 42724637) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
PubChem CID42724637
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C18H16ClNO3/c19-15-4-2-1-3-14(15)18(21)20(13-6-7-13)10-12-5-8-16-17(9-12)23-11-22-16/h1-5,8-9,13H,6-7,10-11H2
InChIKeyJTBVEHYBKNCJRH-UHFFFAOYSA-N
XLogP3.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
CID 42776726
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2,3-dimethylbenzamide
CID 30934258
1-(1,3-benzodioxol-5-ylmethyl)-3-benzyl-1-cyclopropylurea
CID 42723915
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropylcyclobutanecarboxamide
CID 42723770
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
N-[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-2-oxoethyl]-2-chlorobenzamide
CID 30510147
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide
CID 42723772
N-(1,3-benzodioxol-5-ylmethyl)-4-butyl-N-cyclopropylbenzamide
CID 42723771
1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-3-[2-(trifluoromethyl)phenyl]urea
CID 42723918
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide
CID 77089381

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide (CID 42724637) is N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide is O=C(c1ccccc1Cl)N(Cc1ccc2c(c1)OCO2)C1CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide?
The InChIKey is JTBVEHYBKNCJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c19-15-4-2-1-3-14(15)18(21)20(13-6-7-13)10-12-5-8-16-17(9-12)23-11-22-16/h1-5,8-9,13H,6-7,10-11H2.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide has a molecular weight of 329.78 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide is sourced from PubChem (CID 42724637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).