5-amino-2-(3,4-dimethylanilino)benzamide

C15H17N3O — CID 61307817

IUPAC5-amino-2-(3,4-dimethylanilino)benzamide
SMILESCc1ccc(Nc2ccc(N)cc2C(N)=O)cc1C
InChIInChI=1S/C15H17N3O/c1-9-3-5-12(7-10(9)2)18-14-6-4-11(16)8-13(14)15(17)19/h3-8,18H,16H2,1-2H3,(H2,17,19)
InChIKeyGYOMBNWITTYWJN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.73
Rot. Bonds3

About 5-amino-2-(3,4-dimethylanilino)benzamide

5-amino-2-(3,4-dimethylanilino)benzamide (PubChem CID 61307817) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-amino-2-(3,4-dimethylanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(3,4-dimethylanilino)benzamide
PubChem CID61307817
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-amino-2-(3,4-dimethylanilino)benzamide
SMILESCc1ccc(Nc2ccc(N)cc2C(N)=O)cc1C
InChIInChI=1S/C15H17N3O/c1-9-3-5-12(7-10(9)2)18-14-6-4-11(16)8-13(14)15(17)19/h3-8,18H,16H2,1-2H3,(H2,17,19)
InChIKeyGYOMBNWITTYWJN-UHFFFAOYSA-N
XLogP2.73
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-bromo-3-methylanilino)benzamide
CID 61306866
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
CID 100643509
5-amino-2-(4-bromoanilino)benzamide
CID 55125298
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
5-amino-2-(4-propylanilino)benzamide
CID 61305335
5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide
CID 107586461
methyl 5-amino-2-(3-chloro-4-methylanilino)benzoate
CID 61313670
5-amino-2-[(4-methyl-3-pyridinyl)amino]benzamide
CID 55202661
ethyl 5-amino-2-(3-bromo-4-methylanilino)benzoate
CID 63423036
propan-2-yl 5-amino-2-(3-chloro-4-methylanilino)benzoate
CID 100646799
5-amino-2-(2-ethyl-6-methylanilino)benzamide
CID 61313663
6-amino-2-(3,4-dimethylanilino)-5-fluoropyridine-3-carboxamide
CID 134187946

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,4-dimethylanilino)benzamide?
The IUPAC name of 5-amino-2-(3,4-dimethylanilino)benzamide (CID 61307817) is 5-amino-2-(3,4-dimethylanilino)benzamide.
What is the SMILES notation for 5-amino-2-(3,4-dimethylanilino)benzamide?
The canonical SMILES for 5-amino-2-(3,4-dimethylanilino)benzamide is Cc1ccc(Nc2ccc(N)cc2C(N)=O)cc1C.
What is the InChIKey of 5-amino-2-(3,4-dimethylanilino)benzamide?
The InChIKey is GYOMBNWITTYWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-3-5-12(7-10(9)2)18-14-6-4-11(16)8-13(14)15(17)19/h3-8,18H,16H2,1-2H3,(H2,17,19).
What are the key properties of 5-amino-2-(3,4-dimethylanilino)benzamide?
5-amino-2-(3,4-dimethylanilino)benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,4-dimethylanilino)benzamide is sourced from PubChem (CID 61307817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).