3-amino-4-(2,5-dichloroanilino)benzamide

C13H11Cl2N3O — CID 43448380

IUPAC3-amino-4-(2,5-dichloroanilino)benzamide
SMILESNC(=O)c1ccc(Nc2cc(Cl)ccc2Cl)c(N)c1
InChIInChI=1S/C13H11Cl2N3O/c14-8-2-3-9(15)12(6-8)18-11-4-1-7(13(17)19)5-10(11)16/h1-6,18H,16H2,(H2,17,19)
InChIKeyUGVXBEBRQFYTSB-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.42
Rot. Bonds3

About 3-amino-4-(2,5-dichloroanilino)benzamide

3-amino-4-(2,5-dichloroanilino)benzamide (PubChem CID 43448380) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 3-amino-4-(2,5-dichloroanilino)benzamide.

Molecular Properties

Compound Name3-amino-4-(2,5-dichloroanilino)benzamide
PubChem CID43448380
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name3-amino-4-(2,5-dichloroanilino)benzamide
SMILESNC(=O)c1ccc(Nc2cc(Cl)ccc2Cl)c(N)c1
InChIInChI=1S/C13H11Cl2N3O/c14-8-2-3-9(15)12(6-8)18-11-4-1-7(13(17)19)5-10(11)16/h1-6,18H,16H2,(H2,17,19)
InChIKeyUGVXBEBRQFYTSB-UHFFFAOYSA-N
XLogP3.42
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2,5-dichloroanilino)benzamide?
The IUPAC name of 3-amino-4-(2,5-dichloroanilino)benzamide (CID 43448380) is 3-amino-4-(2,5-dichloroanilino)benzamide.
What is the SMILES notation for 3-amino-4-(2,5-dichloroanilino)benzamide?
The canonical SMILES for 3-amino-4-(2,5-dichloroanilino)benzamide is NC(=O)c1ccc(Nc2cc(Cl)ccc2Cl)c(N)c1.
What is the InChIKey of 3-amino-4-(2,5-dichloroanilino)benzamide?
The InChIKey is UGVXBEBRQFYTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-8-2-3-9(15)12(6-8)18-11-4-1-7(13(17)19)5-10(11)16/h1-6,18H,16H2,(H2,17,19).
What are the key properties of 3-amino-4-(2,5-dichloroanilino)benzamide?
3-amino-4-(2,5-dichloroanilino)benzamide has a molecular weight of 296.16 g/mol, XLogP of 3.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2,5-dichloroanilino)benzamide is sourced from PubChem (CID 43448380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).