5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide

C16H17FN2O2 — CID 61092730

IUPAC5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-6-12(18)10-13(15)16(20)19-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyFGJILPSGBCXFPH-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.39
Rot. Bonds5

About 5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide

5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide (PubChem CID 61092730) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
PubChem CID61092730
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(N)cc1C(=O)NCCc1ccccc1F
InChIInChI=1S/C16H17FN2O2/c1-21-15-7-6-12(18)10-13(15)16(20)19-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyFGJILPSGBCXFPH-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
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

5-fluoro-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31064262
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
CID 110789797
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 51196870
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
CID 55083724
5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004068
CID 89193548
CID 89193548
5-amino-2-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63832003

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide (CID 61092730) is 5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide is COc1ccc(N)cc1C(=O)NCCc1ccccc1F.
What is the InChIKey of 5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide?
The InChIKey is FGJILPSGBCXFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-15-7-6-12(18)10-13(15)16(20)19-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of 5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide?
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 61092730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).