5-methoxy-2-(methylamino)benzamide

C9H12N2O2 — CID 66991664

IUPAC5-methoxy-2-(methylamino)benzamide
SMILESCNc1ccc(OC)cc1C(N)=O
InChIInChI=1S/C9H12N2O2/c1-11-8-4-3-6(13-2)5-7(8)9(10)12/h3-5,11H,1-2H3,(H2,10,12)
InChIKeyIAJJNAVARVTVPV-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.84
Rot. Bonds3

About 5-methoxy-2-(methylamino)benzamide

5-methoxy-2-(methylamino)benzamide (PubChem CID 66991664) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-methoxy-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-methoxy-2-(methylamino)benzamide
PubChem CID66991664
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-methoxy-2-(methylamino)benzamide
SMILESCNc1ccc(OC)cc1C(N)=O
InChIInChI=1S/C9H12N2O2/c1-11-8-4-3-6(13-2)5-7(8)9(10)12/h3-5,11H,1-2H3,(H2,10,12)
InChIKeyIAJJNAVARVTVPV-UHFFFAOYSA-N
XLogP0.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2,4-dimethoxyanilino)benzamide
CID 61312108
(2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone
CID 134907446
2-amino-5-methoxybenzamide;ethane
CID 142071126
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 70065817
2-carbamoyl-5-methoxybenzenediazonium chloride
CID 18991222
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
5-chloro-4-methoxy-2-(methylamino)benzamide
CID 170992570
2-[(2,4-dimethoxyanilino)methyl]benzamide
CID 28570532
2-amino-N-(2-carbamoylphenyl)-5-methoxybenzamide
CID 60955502
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(methylamino)benzamide?
The IUPAC name of 5-methoxy-2-(methylamino)benzamide (CID 66991664) is 5-methoxy-2-(methylamino)benzamide.
What is the SMILES notation for 5-methoxy-2-(methylamino)benzamide?
The canonical SMILES for 5-methoxy-2-(methylamino)benzamide is CNc1ccc(OC)cc1C(N)=O.
What is the InChIKey of 5-methoxy-2-(methylamino)benzamide?
The InChIKey is IAJJNAVARVTVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11-8-4-3-6(13-2)5-7(8)9(10)12/h3-5,11H,1-2H3,(H2,10,12).
What are the key properties of 5-methoxy-2-(methylamino)benzamide?
5-methoxy-2-(methylamino)benzamide has a molecular weight of 180.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(methylamino)benzamide is sourced from PubChem (CID 66991664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).