2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide

C16H17FN2O2 — CID 81393771

IUPAC2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide
SMILESCCN(C(=O)c1c(N)cccc1OC)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-3-19(12-9-7-11(17)8-10-12)16(20)15-13(18)5-4-6-14(15)21-2/h4-10H,3,18H2,1-2H3
InChIKeyJOEMLPKNNAEPQC-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.08
Rot. Bonds4

About 2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide

2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide (PubChem CID 81393771) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide
PubChem CID81393771
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide
SMILESCCN(C(=O)c1c(N)cccc1OC)c1ccc(F)cc1
InChIInChI=1S/C16H17FN2O2/c1-3-19(12-9-7-11(17)8-10-12)16(20)15-13(18)5-4-6-14(15)21-2/h4-10H,3,18H2,1-2H3
InChIKeyJOEMLPKNNAEPQC-UHFFFAOYSA-N
XLogP3.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.08
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

3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide
CID 79758297
2-(2-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61026892
3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
CID 60661053
2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-4-methoxybenzamide
CID 60717695
N-ethyl-N-(4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114344262
N-ethyl-2-(5-fluoro-2-methoxyphenyl)-N-phenylacetamide
CID 110767193
2-amino-N-ethyl-6-methyl-N-pyridin-4-ylbenzamide
CID 106934342
N-ethyl-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 60592511
4-amino-N-ethyl-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65354287
3-amino-N-ethyl-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 105069018
N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54732868

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide?
The IUPAC name of 2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide (CID 81393771) is 2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide is CCN(C(=O)c1c(N)cccc1OC)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide?
The InChIKey is JOEMLPKNNAEPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-3-19(12-9-7-11(17)8-10-12)16(20)15-13(18)5-4-6-14(15)21-2/h4-10H,3,18H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide?
2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-(4-fluorophenyl)-6-methoxybenzamide is sourced from PubChem (CID 81393771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).