4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide

C16H17FN2O2 — CID 104782521

IUPAC4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccccc2F)ccc1N
InChIInChI=1S/C16H17FN2O2/c1-10(12-5-3-4-6-13(12)17)19-16(20)11-7-8-14(18)15(9-11)21-2/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyZJYNTPSGEIRKEF-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.91
Rot. Bonds4

About 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide

4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide (PubChem CID 104782521) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
PubChem CID104782521
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccccc2F)ccc1N
InChIInChI=1S/C16H17FN2O2/c1-10(12-5-3-4-6-13(12)17)19-16(20)11-7-8-14(18)15(9-11)21-2/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyZJYNTPSGEIRKEF-UHFFFAOYSA-N
XLogP2.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.91
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-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390616
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
4-amino-3-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 104782504
4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine
CID 63676241
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
CID 62680240
4-amino-3,5-dichloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzamide
CID 82812874
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81374595
5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
CID 61117350
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
4-amino-N-(2,3-difluorophenyl)-3-methoxybenzamide
CID 104782496
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide (CID 104782521) is 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide is COc1cc(C(=O)NC(C)c2ccccc2F)ccc1N.
What is the InChIKey of 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide?
The InChIKey is ZJYNTPSGEIRKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10(12-5-3-4-6-13(12)17)19-16(20)11-7-8-14(18)15(9-11)21-2/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide?
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 104782521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).