N-(3-aminophenyl)-4-cyano-N-ethylbenzamide

C16H15N3O — CID 63229875

IUPACN-(3-aminophenyl)-4-cyano-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(C#N)cc1)c1cccc(N)c1
InChIInChI=1S/C16H15N3O/c1-2-19(15-5-3-4-14(18)10-15)16(20)13-8-6-12(11-17)7-9-13/h3-10H,2,18H2,1H3
InChIKeyHWXWURRFSXIOSY-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.81
Rot. Bonds3

About N-(3-aminophenyl)-4-cyano-N-ethylbenzamide

N-(3-aminophenyl)-4-cyano-N-ethylbenzamide (PubChem CID 63229875) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(3-aminophenyl)-4-cyano-N-ethylbenzamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-4-cyano-N-ethylbenzamide
PubChem CID63229875
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(3-aminophenyl)-4-cyano-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(C#N)cc1)c1cccc(N)c1
InChIInChI=1S/C16H15N3O/c1-2-19(15-5-3-4-14(18)10-15)16(20)13-8-6-12(11-17)7-9-13/h3-10H,2,18H2,1H3
InChIKeyHWXWURRFSXIOSY-UHFFFAOYSA-N
XLogP2.81
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-(3-aminophenyl)-3,4-dichloro-N-ethylbenzamide
CID 63229996
N-(3-aminophenyl)-3-bromo-N-ethyl-4-methylbenzamide
CID 81471443
1-(3-aminophenyl)-3-(3-cyanophenyl)-1-ethylurea
CID 63229843
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
N-(3-aminophenyl)-5-cyano-N-propylpyridine-2-carboxamide
CID 63723674
1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049797
2-(4-cyanophenyl)-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107735086
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900
N-(3-aminophenyl)-N-ethyl-2,5-dihydroxybenzamide
CID 107721468
N-(3-aminophenyl)-2,4-dibromo-N-ethylbenzamide
CID 107937517
N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide
CID 106683233

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-4-cyano-N-ethylbenzamide?
The IUPAC name of N-(3-aminophenyl)-4-cyano-N-ethylbenzamide (CID 63229875) is N-(3-aminophenyl)-4-cyano-N-ethylbenzamide.
What is the SMILES notation for N-(3-aminophenyl)-4-cyano-N-ethylbenzamide?
The canonical SMILES for N-(3-aminophenyl)-4-cyano-N-ethylbenzamide is CCN(C(=O)c1ccc(C#N)cc1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-4-cyano-N-ethylbenzamide?
The InChIKey is HWXWURRFSXIOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-19(15-5-3-4-14(18)10-15)16(20)13-8-6-12(11-17)7-9-13/h3-10H,2,18H2,1H3.
What are the key properties of N-(3-aminophenyl)-4-cyano-N-ethylbenzamide?
N-(3-aminophenyl)-4-cyano-N-ethylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-4-cyano-N-ethylbenzamide is sourced from PubChem (CID 63229875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).