2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide

C16H17FN2O2 — CID 115738458

IUPAC2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-2-21-15-8-7-13(10-14(15)17)19-16(20)9-11-3-5-12(18)6-4-11/h3-8,10H,2,9,18H2,1H3,(H,19,20)
InChIKeyJRWBMLMGBLRBAD-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.99
Rot. Bonds5

About 2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide

2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide (PubChem CID 115738458) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
PubChem CID115738458
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide
SMILESCCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1F
InChIInChI=1S/C16H17FN2O2/c1-2-21-15-8-7-13(10-14(15)17)19-16(20)9-11-3-5-12(18)6-4-11/h3-8,10H,2,9,18H2,1H3,(H,19,20)
InChIKeyJRWBMLMGBLRBAD-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 43380396
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
N-(4-ethoxy-3-fluorophenyl)-3-methylsulfonylpropanamide
CID 87030944
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 115733832
N-(4-ethoxy-3-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 110777396
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830
4-(bromomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 102852031
2-(4-aminopiperidin-1-yl)-N-(4-ethoxy-3-fluorophenyl)acetamide
CID 115738459
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide (CID 115738458) is 2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide is CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1F.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide?
The InChIKey is JRWBMLMGBLRBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-21-15-8-7-13(10-14(15)17)19-16(20)9-11-3-5-12(18)6-4-11/h3-8,10H,2,9,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide?
2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide has a molecular weight of 288.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-ethoxy-3-fluorophenyl)acetamide is sourced from PubChem (CID 115738458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).