5-amino-2-(4-propylanilino)benzamide

C16H19N3O — CID 61305335

IUPAC5-amino-2-(4-propylanilino)benzamide
SMILESCCCc1ccc(Nc2ccc(N)cc2C(N)=O)cc1
InChIInChI=1S/C16H19N3O/c1-2-3-11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)16(18)20/h4-10,19H,2-3,17H2,1H3,(H2,18,20)
InChIKeyHMMHEXZNGITKBE-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.06
Rot. Bonds5

About 5-amino-2-(4-propylanilino)benzamide

5-amino-2-(4-propylanilino)benzamide (PubChem CID 61305335) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-amino-2-(4-propylanilino)benzamide.

Molecular Properties

Compound Name5-amino-2-(4-propylanilino)benzamide
PubChem CID61305335
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-amino-2-(4-propylanilino)benzamide
SMILESCCCc1ccc(Nc2ccc(N)cc2C(N)=O)cc1
InChIInChI=1S/C16H19N3O/c1-2-3-11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)16(18)20/h4-10,19H,2-3,17H2,1H3,(H2,18,20)
InChIKeyHMMHEXZNGITKBE-UHFFFAOYSA-N
XLogP3.06
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.06
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-bromoanilino)benzamide
CID 55125298
5-amino-2-(4-butylanilino)-N-propan-2-ylbenzamide
CID 100654208
5-amino-2-(3,4-dimethylanilino)benzamide
CID 61307817
ethyl 5-amino-2-(4-ethylanilino)benzoate
CID 63425348
5-amino-2-(2-ethylanilino)benzamide
CID 61306914
5-amino-2-(4-bromo-3-methylanilino)benzamide
CID 61306866
5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
5-amino-2-[(5-methyl-3-pyridinyl)amino]benzamide
CID 107586461
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
5-amino-2-(4-fluoro-3-methoxyanilino)benzamide
CID 114840634
2-(4-ethylanilino)benzamide
CID 177472959
5-amino-2-(pentan-3-ylamino)benzamide
CID 61311719

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-propylanilino)benzamide?
The IUPAC name of 5-amino-2-(4-propylanilino)benzamide (CID 61305335) is 5-amino-2-(4-propylanilino)benzamide.
What is the SMILES notation for 5-amino-2-(4-propylanilino)benzamide?
The canonical SMILES for 5-amino-2-(4-propylanilino)benzamide is CCCc1ccc(Nc2ccc(N)cc2C(N)=O)cc1.
What is the InChIKey of 5-amino-2-(4-propylanilino)benzamide?
The InChIKey is HMMHEXZNGITKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-3-11-4-7-13(8-5-11)19-15-9-6-12(17)10-14(15)16(18)20/h4-10,19H,2-3,17H2,1H3,(H2,18,20).
What are the key properties of 5-amino-2-(4-propylanilino)benzamide?
5-amino-2-(4-propylanilino)benzamide has a molecular weight of 269.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-propylanilino)benzamide is sourced from PubChem (CID 61305335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).