2-amino-5-methylbenzamide

C8H10N2O — CID 10329436

IUPAC2-amino-5-methylbenzamide
SMILESCc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C8H10N2O/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKeyLLSGVPKOCZZLTF-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.68
Rot. Bonds1

About 2-amino-5-methylbenzamide

2-amino-5-methylbenzamide (PubChem CID 10329436) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-amino-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-methylbenzamide
PubChem CID10329436
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-amino-5-methylbenzamide
SMILESCc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C8H10N2O/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H2,10,11)
InChIKeyLLSGVPKOCZZLTF-UHFFFAOYSA-N
XLogP0.68
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.68
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-methylbenzamide?
The IUPAC name of 2-amino-5-methylbenzamide (CID 10329436) is 2-amino-5-methylbenzamide.
What is the SMILES notation for 2-amino-5-methylbenzamide?
The canonical SMILES for 2-amino-5-methylbenzamide is Cc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-methylbenzamide?
The InChIKey is LLSGVPKOCZZLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H2,10,11).
What are the key properties of 2-amino-5-methylbenzamide?
2-amino-5-methylbenzamide has a molecular weight of 150.18 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methylbenzamide is sourced from PubChem (CID 10329436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).