4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide

C16H17FN2O2 — CID 81390616

IUPAC4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-10(12-5-3-4-6-15(12)21-2)19-16(20)11-7-8-14(18)13(17)9-11/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyOHGBERYLDHOMSQ-SNVBAGLBSA-N
MW288.32 g/mol
LogP2.91
Rot. Bonds4

About 4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide

4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 81390616) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
PubChem CID81390616
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C16H17FN2O2/c1-10(12-5-3-4-6-15(12)21-2)19-16(20)11-7-8-14(18)13(17)9-11/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyOHGBERYLDHOMSQ-SNVBAGLBSA-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

3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-methoxybenzamide
CID 104782521
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
CID 62680240
4-amino-3-fluoro-N-[(1S)-1-phenylethyl]benzamide
CID 55251408
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
methyl (2S)-2-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55159256
3-iodo-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719108
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
2-amino-4-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81390777
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide (CID 81390616) is 4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1[C@@H](C)NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is OHGBERYLDHOMSQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10(12-5-3-4-6-15(12)21-2)19-16(20)11-7-8-14(18)13(17)9-11/h3-10H,18H2,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of 4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide?
4-amino-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide 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-3-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 81390616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).