7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide

C15H18ClNO3 — CID 30756448

IUPAC7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)c1cc(Cl)c2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C15H18ClNO3/c1-17(11-5-3-2-4-6-11)15(18)10-7-12(16)14-13(8-10)19-9-20-14/h7-8,11H,2-6,9H2,1H3
InChIKeyVIIVALFNJATCNY-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.47
Rot. Bonds2

About 7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide

7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide (PubChem CID 30756448) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
PubChem CID30756448
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide
SMILESCN(C(=O)c1cc(Cl)c2c(c1)OCO2)C1CCCCC1
InChIInChI=1S/C15H18ClNO3/c1-17(11-5-3-2-4-6-11)15(18)10-7-12(16)14-13(8-10)19-9-20-14/h7-8,11H,2-6,9H2,1H3
InChIKeyVIIVALFNJATCNY-UHFFFAOYSA-N
XLogP3.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide 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

3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide
CID 61101939
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 43235774
3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
CID 43409239
3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
7-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 112704617
2-[(7-chloro-1,3-benzodioxole-5-carbonyl)-ethylamino]-2-methylpropanoic acid
CID 62818777
azepan-1-yl-(7-chloro-1,3-benzodioxol-5-yl)methanone
CID 9401585
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate
CID 8951597
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 7-chloro-1,3-benzodioxole-5-carboxylate
CID 8951595
7-chloro-N-(3-hydroxybutyl)-N-methyl-1,3-benzodioxole-5-carboxamide
CID 115673508
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051
3,4-dichloro-N-cyclopentyl-N-methyl-5-nitrobenzamide
CID 43216446

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide (CID 30756448) is 7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide is CN(C(=O)c1cc(Cl)c2c(c1)OCO2)C1CCCCC1.
What is the InChIKey of 7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is VIIVALFNJATCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-17(11-5-3-2-4-6-11)15(18)10-7-12(16)14-13(8-10)19-9-20-14/h7-8,11H,2-6,9H2,1H3.
What are the key properties of 7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide?
7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclohexyl-N-methyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 30756448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).