N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide

C16H17FN2O2 — CID 65432150

IUPACN-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(CN)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-21-14-9-5-8-12(17)15(14)16(20)19-13(10-18)11-6-3-2-4-7-11/h2-9,13H,10,18H2,1H3,(H,19,20)
InChIKeyAFIROXCPINGJON-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.26
Rot. Bonds5

About N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide

N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide (PubChem CID 65432150) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
PubChem CID65432150
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC(CN)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-21-14-9-5-8-12(17)15(14)16(20)19-13(10-18)11-6-3-2-4-7-11/h2-9,13H,10,18H2,1H3,(H,19,20)
InChIKeyAFIROXCPINGJON-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
N-(2-amino-1-phenylethyl)-2-hydroxy-3-methoxybenzamide
CID 63753586
N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
CID 81289414
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
2-amino-6-methoxy-N-(1-phenylpropyl)benzamide
CID 81394668
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide
CID 106357024
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 79010897
(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 107829710

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide (CID 65432150) is N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NC(CN)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is AFIROXCPINGJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-14-9-5-8-12(17)15(14)16(20)19-13(10-18)11-6-3-2-4-7-11/h2-9,13H,10,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide?
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 288.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65432150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).