3-amino-2,5-dichlorobenzamide

C7H6Cl2N2O — CID 16786

IUPAC3-amino-2,5-dichlorobenzamide
SMILESNC(=O)c1cc(Cl)cc(N)c1Cl
InChIInChI=1S/C7H6Cl2N2O/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H2,11,12)
InChIKeyJRYAPKWXBNUCKN-UHFFFAOYSA-N
MW205.04 g/mol
LogP1.67
Rot. Bonds1

About 3-amino-2,5-dichlorobenzamide

3-amino-2,5-dichlorobenzamide (PubChem CID 16786) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is 3-amino-2,5-dichlorobenzamide.

Molecular Properties

Compound Name3-amino-2,5-dichlorobenzamide
PubChem CID16786
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name3-amino-2,5-dichlorobenzamide
SMILESNC(=O)c1cc(Cl)cc(N)c1Cl
InChIInChI=1S/C7H6Cl2N2O/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H2,11,12)
InChIKeyJRYAPKWXBNUCKN-UHFFFAOYSA-N
XLogP1.67
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, 3-amino-4-chloro-
CID 88200
3-amino-2,5-dichlorobenzoic acid sodium salt
CID 23669615
2-Amino-6-chlorobenzamide
CID 13675968
Chloramben-ammonium
CID 14102
5-Amino-2,4-dichlorobenzamide
CID 20570626
2,5-Dichloro-3-[(1e)-3,3-dimethyltriaz-1-en-1-yl]benzamide
CID 290187
Benzamide, 3-amino-N-cyclopropyl-2,5-dichloro-
CID 45038
5-Amino-2-chlorobenzamide
CID 11119642
4-Amino-2-chlorobenzamide
CID 11435193
3-amino-5-chloro-N,N-dimethylbenzamide
CID 81551887
3-Amino-5-chlorobenzamide
CID 10924107
4-Amino-5-chloro benzamide hydrochloride
CID 20395873

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-dichlorobenzamide?
The IUPAC name of 3-amino-2,5-dichlorobenzamide (CID 16786) is 3-amino-2,5-dichlorobenzamide.
What is the SMILES notation for 3-amino-2,5-dichlorobenzamide?
The canonical SMILES for 3-amino-2,5-dichlorobenzamide is NC(=O)c1cc(Cl)cc(N)c1Cl.
What is the InChIKey of 3-amino-2,5-dichlorobenzamide?
The InChIKey is JRYAPKWXBNUCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H2,11,12).
What are the key properties of 3-amino-2,5-dichlorobenzamide?
3-amino-2,5-dichlorobenzamide has a molecular weight of 205.04 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-dichlorobenzamide is sourced from PubChem (CID 16786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).