N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide

C17H18F2N2O — CID 84589201

IUPACN-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1cc(F)c(C)cc1F
InChIInChI=1S/C17H18F2N2O/c1-3-20-10-12-6-4-5-7-16(12)21-17(22)13-9-14(18)11(2)8-15(13)19/h4-9,20H,3,10H2,1-2H3,(H,21,22)
InChIKeyRGZIUZJBQSHLFL-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.64
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide

N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide (PubChem CID 84589201) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
PubChem CID84589201
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1cc(F)c(C)cc1F
InChIInChI=1S/C17H18F2N2O/c1-3-20-10-12-6-4-5-7-16(12)21-17(22)13-9-14(18)11(2)8-15(13)19/h4-9,20H,3,10H2,1-2H3,(H,21,22)
InChIKeyRGZIUZJBQSHLFL-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 65311478
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119438951
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-[2-(ethylaminomethyl)phenyl]-5-(ethylsulfamoyl)-2-methylbenzamide;hydrochloride
CID 119438950
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
N-[2-(ethylaminomethyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107015784
2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 107677077
4-fluoro-3-methyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 63213814
2-fluoro-4-methyl-N-(2-propylphenyl)benzamide
CID 79778827
2-(2,3-difluorophenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 84586354
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide (CID 84589201) is N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide is CCNCc1ccccc1NC(=O)c1cc(F)c(C)cc1F.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide?
The InChIKey is RGZIUZJBQSHLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c1-3-20-10-12-6-4-5-7-16(12)21-17(22)13-9-14(18)11(2)8-15(13)19/h4-9,20H,3,10H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide?
N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide has a molecular weight of 304.34 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2,5-difluoro-4-methylbenzamide is sourced from PubChem (CID 84589201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).