2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide

C16H17FN2O2 — CID 106260904

IUPAC2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(F)c1N
InChIInChI=1S/C16H17FN2O2/c1-21-14-8-3-2-5-11(14)9-10-19-16(20)12-6-4-7-13(17)15(12)18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyVSCQMPOLWRHZPY-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.39
Rot. Bonds5

About 2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide

2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 106260904) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID106260904
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(F)c1N
InChIInChI=1S/C16H17FN2O2/c1-21-14-8-3-2-5-11(14)9-10-19-16(20)12-6-4-7-13(17)15(12)18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyVSCQMPOLWRHZPY-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
N-[2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzamide
CID 26778040
2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 27756984
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
N-[2-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 51151939
2,6-dichloro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 112766523
2-[2-(2-fluorophenyl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 109000124
2-(3-aminophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 28711954
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
CID 110789797
2-chloro-5-fluoro-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 103891624
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide (CID 106260904) is 2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1CCNC(=O)c1cccc(F)c1N.
What is the InChIKey of 2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is VSCQMPOLWRHZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-14-8-3-2-5-11(14)9-10-19-16(20)12-6-4-7-13(17)15(12)18/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide?
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide 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 2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 106260904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).