2-amino-5-(2,4,6-trimethylanilino)benzamide

C16H19N3O — CID 61313467

IUPAC2-amino-5-(2,4,6-trimethylanilino)benzamide
SMILESCc1cc(C)c(Nc2ccc(N)c(C(N)=O)c2)c(C)c1
InChIInChI=1S/C16H19N3O/c1-9-6-10(2)15(11(3)7-9)19-12-4-5-14(17)13(8-12)16(18)20/h4-8,19H,17H2,1-3H3,(H2,18,20)
InChIKeyVKMCPRCMJIINHO-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.04
Rot. Bonds3

About 2-amino-5-(2,4,6-trimethylanilino)benzamide

2-amino-5-(2,4,6-trimethylanilino)benzamide (PubChem CID 61313467) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-5-(2,4,6-trimethylanilino)benzamide.

Molecular Properties

Compound Name2-amino-5-(2,4,6-trimethylanilino)benzamide
PubChem CID61313467
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-amino-5-(2,4,6-trimethylanilino)benzamide
SMILESCc1cc(C)c(Nc2ccc(N)c(C(N)=O)c2)c(C)c1
InChIInChI=1S/C16H19N3O/c1-9-6-10(2)15(11(3)7-9)19-12-4-5-14(17)13(8-12)16(18)20/h4-8,19H,17H2,1-3H3,(H2,18,20)
InChIKeyVKMCPRCMJIINHO-UHFFFAOYSA-N
XLogP3.04
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.04
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

2-amino-5-(2,4,6-trimethylanilino)benzoic acid
CID 60988908
methyl 2-amino-5-(2,4,6-trimethylanilino)benzoate
CID 63422225
2-amino-5-(3-methylanilino)benzamide
CID 61307453
2-amino-5-(4-bromo-3,5-dimethylanilino)benzamide
CID 107577603
2-amino-5-(4-fluoro-3-methylanilino)benzamide
CID 62814148
2-methyl-5-(2,4,6-trimethylanilino)benzoic acid
CID 155290586
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
2-amino-5-(2-fluoro-5-methylanilino)benzamide
CID 61307828
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
2-amino-5-(4-bromo-3-methoxyanilino)benzamide
CID 82859808
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,4,6-trimethylanilino)benzamide?
The IUPAC name of 2-amino-5-(2,4,6-trimethylanilino)benzamide (CID 61313467) is 2-amino-5-(2,4,6-trimethylanilino)benzamide.
What is the SMILES notation for 2-amino-5-(2,4,6-trimethylanilino)benzamide?
The canonical SMILES for 2-amino-5-(2,4,6-trimethylanilino)benzamide is Cc1cc(C)c(Nc2ccc(N)c(C(N)=O)c2)c(C)c1.
What is the InChIKey of 2-amino-5-(2,4,6-trimethylanilino)benzamide?
The InChIKey is VKMCPRCMJIINHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-9-6-10(2)15(11(3)7-9)19-12-4-5-14(17)13(8-12)16(18)20/h4-8,19H,17H2,1-3H3,(H2,18,20).
What are the key properties of 2-amino-5-(2,4,6-trimethylanilino)benzamide?
2-amino-5-(2,4,6-trimethylanilino)benzamide has a molecular weight of 269.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,4,6-trimethylanilino)benzamide is sourced from PubChem (CID 61313467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).