N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide

C17H17F2NO — CID 112763839

IUPACN-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2ccc(F)cc2F)c1C
InChIInChI=1S/C17H17F2NO/c1-10-5-4-6-14(11(10)2)17(21)20-12(3)15-8-7-13(18)9-16(15)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyLIGSYGYFASNKDI-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.07
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide

N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide (PubChem CID 112763839) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
PubChem CID112763839
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C)c2ccc(F)cc2F)c1C
InChIInChI=1S/C17H17F2NO/c1-10-5-4-6-14(11(10)2)17(21)20-12(3)15-8-7-13(18)9-16(15)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyLIGSYGYFASNKDI-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 7968245
3-amino-N-[1-(2,5-difluorophenyl)ethyl]-2-methylbenzamide
CID 78984250
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
CID 8751575
N-[1-[1-(2,4-difluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 51150373
4-fluoro-2-hydroxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107015172
3-amino-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzamide
CID 61118167
N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 42959972
N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 51150413

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide (CID 112763839) is N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC(C)c2ccc(F)cc2F)c1C.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide?
The InChIKey is LIGSYGYFASNKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-10-5-4-6-14(11(10)2)17(21)20-12(3)15-8-7-13(18)9-16(15)19/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide?
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide has a molecular weight of 289.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 112763839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).