3-amino-2-methyl-5-nitrobenzamide

C8H9N3O3 — CID 19141

IUPAC3-amino-2-methyl-5-nitrobenzamide
SMILESCc1c(N)cc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C8H9N3O3/c1-4-6(8(10)12)2-5(11(13)14)3-7(4)9/h2-3H,9H2,1H3,(H2,10,12)
InChIKeyRBLRQBGOUCRKRT-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.58
Rot. Bonds2

About 3-amino-2-methyl-5-nitrobenzamide

3-amino-2-methyl-5-nitrobenzamide (PubChem CID 19141) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 3-amino-2-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name3-amino-2-methyl-5-nitrobenzamide
PubChem CID19141
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name3-amino-2-methyl-5-nitrobenzamide
SMILESCc1c(N)cc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C8H9N3O3/c1-4-6(8(10)12)2-5(11(13)14)3-7(4)9/h2-3H,9H2,1H3,(H2,10,12)
InChIKeyRBLRQBGOUCRKRT-UHFFFAOYSA-N
XLogP0.58
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-carbamoyl-2-methyl-5-nitrobenzoic acid
CID 66586686
2-cyano-3-methyl-5-nitrobenzamide
CID 171028348
2,5-dimethyl-3-nitrobenzamide
CID 119008464
3-amino-2-methoxy-5-nitrobenzoic acid
CID 131861934
2-bromo-3-fluoro-5-nitrobenzamide
CID 130980263
2-aminooxy-5-nitrobenzamide
CID 79421918
3,5-dinitrobenzamide;hydrochloride
CID 172864761
2-amino-4,5-dinitrobenzamide
CID 119012907
4-amino-5-nitrobenzene-1,2-dicarboxamide
CID 146673880
dimethyl 2-amino-5-nitrobenzene-1,3-dicarboxylate
CID 154210307
3-formyl-2-methoxy-5-nitrobenzamide
CID 171022744
2-(cyclopropylmethyl)-5-nitrobenzene-1,3-dicarboxamide
CID 175326898

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-5-nitrobenzamide?
The IUPAC name of 3-amino-2-methyl-5-nitrobenzamide (CID 19141) is 3-amino-2-methyl-5-nitrobenzamide.
What is the SMILES notation for 3-amino-2-methyl-5-nitrobenzamide?
The canonical SMILES for 3-amino-2-methyl-5-nitrobenzamide is Cc1c(N)cc([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 3-amino-2-methyl-5-nitrobenzamide?
The InChIKey is RBLRQBGOUCRKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-4-6(8(10)12)2-5(11(13)14)3-7(4)9/h2-3H,9H2,1H3,(H2,10,12).
What are the key properties of 3-amino-2-methyl-5-nitrobenzamide?
3-amino-2-methyl-5-nitrobenzamide has a molecular weight of 195.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-5-nitrobenzamide is sourced from PubChem (CID 19141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).