3-amino-4-anilino-N-ethylbenzamide

C15H17N3O — CID 82999542

IUPAC3-amino-4-anilino-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Nc2ccccc2)c(N)c1
InChIInChI=1S/C15H17N3O/c1-2-17-15(19)11-8-9-14(13(16)10-11)18-12-6-4-3-5-7-12/h3-10,18H,2,16H2,1H3,(H,17,19)
InChIKeyHSBVUOQTWDZMCJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.76
Rot. Bonds4

About 3-amino-4-anilino-N-ethylbenzamide

3-amino-4-anilino-N-ethylbenzamide (PubChem CID 82999542) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-amino-4-anilino-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-anilino-N-ethylbenzamide
PubChem CID82999542
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-amino-4-anilino-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Nc2ccccc2)c(N)c1
InChIInChI=1S/C15H17N3O/c1-2-17-15(19)11-8-9-14(13(16)10-11)18-12-6-4-3-5-7-12/h3-10,18H,2,16H2,1H3,(H,17,19)
InChIKeyHSBVUOQTWDZMCJ-UHFFFAOYSA-N
XLogP2.76
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.76
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

4-amino-3-anilino-N-ethylbenzamide
CID 55188757
3-amino-4-(2,6-dibromoanilino)-N-ethylbenzamide
CID 107596572
3-amino-4-(3-bromo-2-methylanilino)-N-ethylbenzamide
CID 107633752
3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide
CID 82993340
3-amino-4-anilino-N-cyclopropylbenzamide
CID 84819042
3-amino-N-ethyl-4-[[(2R)-4-phenylbutan-2-yl]amino]benzamide
CID 100636946
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
3-amino-4-(3,5-dichloroanilino)-N-propylbenzamide
CID 100628629
3-amino-4-(3,4-dimethylanilino)-N-propylbenzamide
CID 100624621
4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide
CID 107643460
4-amino-N-ethyl-3-(3-methylsulfanylanilino)benzamide
CID 63360686
3-amino-4-(4-ethylanilino)-N-(2-methoxyethyl)benzamide
CID 100625211

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-anilino-N-ethylbenzamide?
The IUPAC name of 3-amino-4-anilino-N-ethylbenzamide (CID 82999542) is 3-amino-4-anilino-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-anilino-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-anilino-N-ethylbenzamide is CCNC(=O)c1ccc(Nc2ccccc2)c(N)c1.
What is the InChIKey of 3-amino-4-anilino-N-ethylbenzamide?
The InChIKey is HSBVUOQTWDZMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-17-15(19)11-8-9-14(13(16)10-11)18-12-6-4-3-5-7-12/h3-10,18H,2,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-4-anilino-N-ethylbenzamide?
3-amino-4-anilino-N-ethylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-anilino-N-ethylbenzamide is sourced from PubChem (CID 82999542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).