7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide

C16H14ClNO4 — CID 9404639

IUPAC7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1
InChIInChI=1S/C16H14ClNO4/c1-20-12-4-2-10(3-5-12)8-18-16(19)11-6-13(17)15-14(7-11)21-9-22-15/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyUYHZOAOPIPJLEG-UHFFFAOYSA-N
MW319.74 g/mol
LogP3.01
Rot. Bonds4

About 7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide

7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 9404639) has the molecular formula C16H14ClNO4 and a molecular weight of 319.74 g/mol. Its IUPAC name is 7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID9404639
Molecular FormulaC16H14ClNO4
Molecular Weight319.74 g/mol
Exact Mass319.06
IUPAC Name7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1
InChIInChI=1S/C16H14ClNO4/c1-20-12-4-2-10(3-5-12)8-18-16(19)11-6-13(17)15-14(7-11)21-9-22-15/h2-7H,8-9H2,1H3,(H,18,19)
InChIKeyUYHZOAOPIPJLEG-UHFFFAOYSA-N
XLogP3.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-[(4-methoxyphenyl)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

5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27540023
N-[(4-carbamoylphenyl)methyl]-7-chloro-1,3-benzodioxole-5-carboxamide
CID 46601534
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 29206385
5-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 42008082
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-4-methoxybenzamide
CID 1297066
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
1-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9147478
7-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 33248256
methyl 3-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-2-hydroxypropanoate
CID 103879196
7-chloro-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 39754944
6-chloro-N-[2-(4-methoxyphenoxy)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 55416510
7-chloro-N-[(2R)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 83032162

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide (CID 9404639) is 7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(CNC(=O)c2cc(Cl)c3c(c2)OCO3)cc1.
What is the InChIKey of 7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is UYHZOAOPIPJLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO4/c1-20-12-4-2-10(3-5-12)8-18-16(19)11-6-13(17)15-14(7-11)21-9-22-15/h2-7H,8-9H2,1H3,(H,18,19).
What are the key properties of 7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide?
7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 319.74 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 9404639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).