azanium 2-amino-4-chlorobenzoate

C7H9ClN2O2 — CID 23030471

IUPACazanium 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)[O-].[NH4+]
InChIInChI=1S/C7H6ClNO2.H3N/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,9H2,(H,10,11);1H3
InChIKeyDHWJQQSBPPWWEG-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.66
Rot. Bonds1

About azanium 2-amino-4-chlorobenzoate

azanium 2-amino-4-chlorobenzoate (PubChem CID 23030471) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is azanium 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Nameazanium 2-amino-4-chlorobenzoate
PubChem CID23030471
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Nameazanium 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)[O-].[NH4+]
InChIInChI=1S/C7H6ClNO2.H3N/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,9H2,(H,10,11);1H3
InChIKeyDHWJQQSBPPWWEG-UHFFFAOYSA-N
XLogP0.66
TPSA102.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azanium 2-amino-4-chlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-amino-4-chlorophenyl)methanone
CID 15130044
cesium 2-amino-4-hydroxybenzoate
CID 23687369
2-amino-4-chloro-N-methylbenzohydrazide
CID 145125072
2-amino-1-(2-amino-4-chlorophenyl)propan-1-one
CID 105451868
2-amino-4-(dihydroxyamino)benzoate
CID 163163035
hexakis(2-aminoterephthalate);octakis(oxygen(2-));octakis(titanium(4+));tetrahydroxide
CID 154703048
1-(2-amino-4-chlorophenyl)-2-cyclobutylethanone
CID 65458104
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
2-amino-4-chloro-N,N-diethylbenzamide
CID 16773722
1-(2-amino-4-chlorophenyl)-2,2-dimethoxyethanone
CID 21474024
(2-amino-2-oxoethyl) 2-amino-4-chlorobenzoate
CID 2389727
(2-amino-4-chlorophenyl)-(4-aminopiperidin-1-yl)methanone
CID 110464956

Frequently Asked Questions

What is the IUPAC name of azanium 2-amino-4-chlorobenzoate?
The IUPAC name of azanium 2-amino-4-chlorobenzoate (CID 23030471) is azanium 2-amino-4-chlorobenzoate.
What is the SMILES notation for azanium 2-amino-4-chlorobenzoate?
The canonical SMILES for azanium 2-amino-4-chlorobenzoate is Nc1cc(Cl)ccc1C(=O)[O-].[NH4+].
What is the InChIKey of azanium 2-amino-4-chlorobenzoate?
The InChIKey is DHWJQQSBPPWWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2.H3N/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,9H2,(H,10,11);1H3.
What are the key properties of azanium 2-amino-4-chlorobenzoate?
azanium 2-amino-4-chlorobenzoate has a molecular weight of 188.61 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium 2-amino-4-chlorobenzoate is sourced from PubChem (CID 23030471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).