N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide

C16H17FN2O2 — CID 81289414

IUPACN-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(CN)c2ccccc2)ccc1F
InChIInChI=1S/C16H17FN2O2/c1-21-15-9-12(7-8-13(15)17)16(20)19-14(10-18)11-5-3-2-4-6-11/h2-9,14H,10,18H2,1H3,(H,19,20)
InChIKeyBTVSDXKSZIYQNY-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.26
Rot. Bonds5

About N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide

N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide (PubChem CID 81289414) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
PubChem CID81289414
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC(CN)c2ccccc2)ccc1F
InChIInChI=1S/C16H17FN2O2/c1-21-15-9-12(7-8-13(15)17)16(20)19-14(10-18)11-5-3-2-4-6-11/h2-9,14H,10,18H2,1H3,(H,19,20)
InChIKeyBTVSDXKSZIYQNY-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

4-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945331
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150
N-(2-amino-1-phenylethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
CID 131635882
N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81283356
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
N-[2-(dimethylamino)-2-oxo-1-phenylethyl]-4-fluoro-3-methoxybenzamide
CID 86779379
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
(2S)-4-amino-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 81282859
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125
[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-2-phenylethyl]-dimethylazanium
CID 8936252
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide (CID 81289414) is N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)NC(CN)c2ccccc2)ccc1F.
What is the InChIKey of N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide?
The InChIKey is BTVSDXKSZIYQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-21-15-9-12(7-8-13(15)17)16(20)19-14(10-18)11-5-3-2-4-6-11/h2-9,14H,10,18H2,1H3,(H,19,20).
What are the key properties of N-(2-amino-1-phenylethyl)-4-fluoro-3-methoxybenzamide?
N-(2-amino-1-phenylethyl)-4-fluoro-3-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)-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 81289414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).