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

C16H17FN2O — CID 61118167

IUPAC3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC(C)c1ccccc1F
InChIInChI=1S/C16H17FN2O/c1-10-12(7-5-9-15(10)18)16(20)19-11(2)13-6-3-4-8-14(13)17/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyWNDFLKJPPXEUEL-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.21
Rot. Bonds3

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

3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide (PubChem CID 61118167) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide
PubChem CID61118167
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NC(C)c1ccccc1F
InChIInChI=1S/C16H17FN2O/c1-10-12(7-5-9-15(10)18)16(20)19-11(2)13-6-3-4-8-14(13)17/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyWNDFLKJPPXEUEL-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide
CID 78984250
5-amino-2,4-difluoro-N-[1-(2-fluorophenyl)ethyl]benzamide
CID 61117350
N-[1-(2-fluorophenyl)ethyl]-2,3-dihydroxybenzamide
CID 114344109
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
CID 78985186
5-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61117008
2-amino-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 131858457
3-amino-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401938
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 112763839
3-amino-2-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43371726
N-[1-(2-fluorophenyl)ethyl]-5-methyl-2-(methylamino)benzamide
CID 62508680
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 78972216

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide (CID 61118167) is 3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide is Cc1c(N)cccc1C(=O)NC(C)c1ccccc1F.
What is the InChIKey of 3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide?
The InChIKey is WNDFLKJPPXEUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-12(7-5-9-15(10)18)16(20)19-11(2)13-6-3-4-8-14(13)17/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide?
3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 61118167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).