3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide

C14H10Cl2N2O3 — CID 61092953

IUPAC3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide
SMILESNc1cc(C(=O)Nc2ccc3c(c2)OCO3)cc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-9-3-7(4-10(17)13(9)16)14(19)18-8-1-2-11-12(5-8)21-6-20-11/h1-5H,6,17H2,(H,18,19)
InChIKeyGYWFZHQQKVCEHD-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.56
Rot. Bonds2

About 3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide

3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide (PubChem CID 61092953) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide.

Molecular Properties

Compound Name3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide
PubChem CID61092953
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide
SMILESNc1cc(C(=O)Nc2ccc3c(c2)OCO3)cc(Cl)c1Cl
InChIInChI=1S/C14H10Cl2N2O3/c15-9-3-7(4-10(17)13(9)16)14(19)18-8-1-2-11-12(5-8)21-6-20-11/h1-5H,6,17H2,(H,18,19)
InChIKeyGYWFZHQQKVCEHD-UHFFFAOYSA-N
XLogP3.56
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-1,3-benzodioxole-5-carboxamide
CID 16775406
N-(1,3-benzodioxol-5-yl)-5,6-dichloropyridine-3-carboxamide
CID 2471203
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044
3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide
CID 61094545
3-amino-4,5-dichloro-N-phenylbenzamide
CID 61090142
3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide
CID 61090012
3-amino-4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 61095483
N-(1,3-benzodioxol-5-yl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 2521191
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
CID 62059841
N-(1,3-benzodioxol-5-yl)-2,4-dichloro-5-fluorobenzamide
CID 9191596

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide?
The IUPAC name of 3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide (CID 61092953) is 3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide.
What is the SMILES notation for 3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide?
The canonical SMILES for 3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide is Nc1cc(C(=O)Nc2ccc3c(c2)OCO3)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide?
The InChIKey is GYWFZHQQKVCEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-9-3-7(4-10(17)13(9)16)14(19)18-8-1-2-11-12(5-8)21-6-20-11/h1-5H,6,17H2,(H,18,19).
What are the key properties of 3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide?
3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide has a molecular weight of 325.15 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide is sourced from PubChem (CID 61092953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).