4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide

C15H15FN2O2 — CID 62679243

IUPAC4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(N)c(F)c2)cc1
InChIInChI=1S/C15H15FN2O2/c1-2-20-12-6-4-11(5-7-12)18-15(19)10-3-8-14(17)13(16)9-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyMNJXOIZOUBUFLC-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.06
Rot. Bonds4

About 4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide

4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide (PubChem CID 62679243) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide
PubChem CID62679243
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide
SMILESCCOc1ccc(NC(=O)c2ccc(N)c(F)c2)cc1
InChIInChI=1S/C15H15FN2O2/c1-2-20-12-6-4-11(5-7-12)18-15(19)10-3-8-14(17)13(16)9-10/h3-9H,2,17H2,1H3,(H,18,19)
InChIKeyMNJXOIZOUBUFLC-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-ethylphenyl)-3-fluorobenzamide
CID 62678871
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
1-N-(4-ethoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049866
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide (CID 62679243) is 4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide is CCOc1ccc(NC(=O)c2ccc(N)c(F)c2)cc1.
What is the InChIKey of 4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide?
The InChIKey is MNJXOIZOUBUFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-20-12-6-4-11(5-7-12)18-15(19)10-3-8-14(17)13(16)9-10/h3-9H,2,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide?
4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide has a molecular weight of 274.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxyphenyl)-3-fluorobenzamide is sourced from PubChem (CID 62679243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).