4-amino-N-ethylbenzamide

C9H12N2O — CID 577773

IUPAC4-amino-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3,(H,11,12)
InChIKeyDROBNRGIMGTXHP-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.02
Rot. Bonds2

About 4-amino-N-ethylbenzamide

4-amino-N-ethylbenzamide (PubChem CID 577773) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-amino-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-N-ethylbenzamide
PubChem CID577773
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name4-amino-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3,(H,11,12)
InChIKeyDROBNRGIMGTXHP-UHFFFAOYSA-N
XLogP1.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethylbenzamide?
The IUPAC name of 4-amino-N-ethylbenzamide (CID 577773) is 4-amino-N-ethylbenzamide.
What is the SMILES notation for 4-amino-N-ethylbenzamide?
The canonical SMILES for 4-amino-N-ethylbenzamide is CCNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-ethylbenzamide?
The InChIKey is DROBNRGIMGTXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-11-9(12)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3,(H,11,12).
What are the key properties of 4-amino-N-ethylbenzamide?
4-amino-N-ethylbenzamide has a molecular weight of 164.21 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethylbenzamide is sourced from PubChem (CID 577773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).