N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide

C16H15F2NO2 — CID 135296532

IUPACN-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide
SMILESCCc1c(OC)cccc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-3-11-12(5-4-6-15(11)21-2)16(20)19-14-8-7-10(17)9-13(14)18/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyHGPIPYNSZMBPJJ-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.79
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide

N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide (PubChem CID 135296532) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide
PubChem CID135296532
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC NameN-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide
SMILESCCc1c(OC)cccc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2NO2/c1-3-11-12(5-4-6-15(11)21-2)16(20)19-14-8-7-10(17)9-13(14)18/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyHGPIPYNSZMBPJJ-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622
N-(4-fluoro-2-methoxyphenyl)-2,3-dihydroxybenzamide
CID 114344130
N-(2,4-difluorophenyl)-2-methoxypyridine-3-carboxamide
CID 2819487
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
3-amino-2-chloro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 115930471
4-bromo-N-(2,4-difluorophenyl)-3,5-dimethoxybenzamide
CID 26586057
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
N-(2,4-difluorophenyl)-2-propylsulfonylbenzamide
CID 17224852
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide (CID 135296532) is N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide is CCc1c(OC)cccc1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide?
The InChIKey is HGPIPYNSZMBPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-3-11-12(5-4-6-15(11)21-2)16(20)19-14-8-7-10(17)9-13(14)18/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide?
N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide has a molecular weight of 291.30 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-ethyl-3-methoxybenzamide is sourced from PubChem (CID 135296532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).