N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide

C15H12ClNO4 — CID 775353

IUPACN-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H12ClNO4/c1-19-12-5-3-10(16)7-11(12)17-15(18)9-2-4-13-14(6-9)21-8-20-13/h2-7H,8H2,1H3,(H,17,18)
InChIKeyQNTLKXBMTZHKLO-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.33
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide

N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 775353) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID775353
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H12ClNO4/c1-19-12-5-3-10(16)7-11(12)17-15(18)9-2-4-13-14(6-9)21-8-20-13/h2-7H,8H2,1H3,(H,17,18)
InChIKeyQNTLKXBMTZHKLO-UHFFFAOYSA-N
XLogP3.33
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 16522333
N-[(5-chloro-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110793489
N-(1,3-benzodioxol-5-yl)-N'-(5-chloro-2-methoxyphenyl)propanediamide
CID 108955463
4-(1,3-benzodioxole-5-carbonylamino)-5-chloro-2-methoxybenzoic acid
CID 45430005
N-(5-chloro-2-methoxyphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777203
2-(1,3-benzodioxole-5-carbonylamino)-N-(5-chloro-2-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
CID 16947762
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
3-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 4263710
6-(1,3-benzodioxol-5-ylamino)-N-(5-chloro-2-methoxyphenyl)pyridazine-3-carboxamide
CID 109129115
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 108998748
N-(1,3-benzodioxol-5-yl)-3-[(2,5-dichlorophenyl)sulfamoyl]-4-methoxybenzamide
CID 4781795

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide (CID 775353) is N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is QNTLKXBMTZHKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-19-12-5-3-10(16)7-11(12)17-15(18)9-2-4-13-14(6-9)21-8-20-13/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 305.72 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 775353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).