2-amino-5-chloro-3-methylbenzamide

C8H9ClN2O — CID 44887012

IUPAC2-amino-5-chloro-3-methylbenzamide
SMILESCc1cc(Cl)cc(C(N)=O)c1N
InChIInChI=1S/C8H9ClN2O/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H2,11,12)
InChIKeyGJPVEWHLNAWLNW-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.33
Rot. Bonds1

About 2-amino-5-chloro-3-methylbenzamide

2-amino-5-chloro-3-methylbenzamide (PubChem CID 44887012) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-amino-5-chloro-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-chloro-3-methylbenzamide
PubChem CID44887012
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-amino-5-chloro-3-methylbenzamide
SMILESCc1cc(Cl)cc(C(N)=O)c1N
InChIInChI=1S/C8H9ClN2O/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H2,11,12)
InChIKeyGJPVEWHLNAWLNW-UHFFFAOYSA-N
XLogP1.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-methylbenzamide?
The IUPAC name of 2-amino-5-chloro-3-methylbenzamide (CID 44887012) is 2-amino-5-chloro-3-methylbenzamide.
What is the SMILES notation for 2-amino-5-chloro-3-methylbenzamide?
The canonical SMILES for 2-amino-5-chloro-3-methylbenzamide is Cc1cc(Cl)cc(C(N)=O)c1N.
What is the InChIKey of 2-amino-5-chloro-3-methylbenzamide?
The InChIKey is GJPVEWHLNAWLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H2,11,12).
What are the key properties of 2-amino-5-chloro-3-methylbenzamide?
2-amino-5-chloro-3-methylbenzamide has a molecular weight of 184.63 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-methylbenzamide is sourced from PubChem (CID 44887012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).