2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide

C15H13ClN2O3 — CID 43703608

IUPAC2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
SMILESNc1ccc(CC(=O)Nc2cc3c(cc2Cl)OCO3)cc1
InChIInChI=1S/C15H13ClN2O3/c16-11-6-13-14(21-8-20-13)7-12(11)18-15(19)5-9-1-3-10(17)4-2-9/h1-4,6-7H,5,8,17H2,(H,18,19)
InChIKeyFZLYUJDMWRLRDR-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.83
Rot. Bonds3

About 2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide

2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide (PubChem CID 43703608) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
PubChem CID43703608
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide
SMILESNc1ccc(CC(=O)Nc2cc3c(cc2Cl)OCO3)cc1
InChIInChI=1S/C15H13ClN2O3/c16-11-6-13-14(21-8-20-13)7-12(11)18-15(19)5-9-1-3-10(17)4-2-9/h1-4,6-7H,5,8,17H2,(H,18,19)
InChIKeyFZLYUJDMWRLRDR-UHFFFAOYSA-N
XLogP2.83
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-1,3-benzodioxol-5-yl)-2-(3,4-dimethylphenyl)acetamide
CID 18103899
3-[(6-chloro-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 62231463
N-(6-chloro-1,3-benzodioxol-5-yl)butanamide
CID 34536772
2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41107875
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chlorophenyl)acetamide
CID 18076767
2-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)acetamide
CID 43713303
N-(5-amino-2-chlorophenyl)-2-(4-methylphenyl)acetamide
CID 43548738
2-amino-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide;hydrochloride
CID 119275630
2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 43438160
2-hydroxyethyl N-(6-chloro-1,3-benzodioxol-5-yl)carbamate
CID 79346610
1-amino-N-(6-chloro-1,3-benzodioxol-5-yl)cyclohexane-1-carboxamide
CID 43703610
2-(4-aminophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24689811

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide (CID 43703608) is 2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide is Nc1ccc(CC(=O)Nc2cc3c(cc2Cl)OCO3)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is FZLYUJDMWRLRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-6-13-14(21-8-20-13)7-12(11)18-15(19)5-9-1-3-10(17)4-2-9/h1-4,6-7H,5,8,17H2,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide?
2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 304.73 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(6-chloro-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 43703608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).