N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide

C17H19FN2O — CID 64693951

IUPACN-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
SMILESCCc1ccccc1CNC(=O)c1cccc(F)c1NC
InChIInChI=1S/C17H19FN2O/c1-3-12-7-4-5-8-13(12)11-20-17(21)14-9-6-10-15(18)16(14)19-2/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyIWCGWUAOSCWFCD-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.36
Rot. Bonds5

About N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide

N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide (PubChem CID 64693951) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
PubChem CID64693951
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC NameN-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
SMILESCCc1ccccc1CNC(=O)c1cccc(F)c1NC
InChIInChI=1S/C17H19FN2O/c1-3-12-7-4-5-8-13(12)11-20-17(21)14-9-6-10-15(18)16(14)19-2/h4-10,19H,3,11H2,1-2H3,(H,20,21)
InChIKeyIWCGWUAOSCWFCD-UHFFFAOYSA-N
XLogP3.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(2-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62648542
N-benzyl-3-fluoro-2-(methylamino)benzamide
CID 55100092
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
3-fluoro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62660803
N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941364
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
N-(2-ethoxyethyl)-3-fluoro-2-(methylamino)benzamide
CID 62650175
3-fluoro-2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106423060
3-fluoro-2-(methylamino)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62662132
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
2,3-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 62649874
2-ethyl-6-fluoro-N-methylaniline
CID 22769633

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide (CID 64693951) is N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide is CCc1ccccc1CNC(=O)c1cccc(F)c1NC.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide?
The InChIKey is IWCGWUAOSCWFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-3-12-7-4-5-8-13(12)11-20-17(21)14-9-6-10-15(18)16(14)19-2/h4-10,19H,3,11H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide?
N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide has a molecular weight of 286.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 64693951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).