3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide

C18H19F3N2O3 — CID 10126260

IUPAC3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide
SMILESCCCc1ccc(Nc2c(C(=O)NOCCO)ccc(F)c2F)c(F)c1
InChIInChI=1S/C18H19F3N2O3/c1-2-3-11-4-7-15(14(20)10-11)22-17-12(5-6-13(19)16(17)21)18(25)23-26-9-8-24/h4-7,10,22,24H,2-3,8-9H2,1H3,(H,23,25)
InChIKeyYNNNHTWSCUOBCU-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.45
Rot. Bonds8

About 3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide

3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide (PubChem CID 10126260) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound Name3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide
PubChem CID10126260
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide
SMILESCCCc1ccc(Nc2c(C(=O)NOCCO)ccc(F)c2F)c(F)c1
InChIInChI=1S/C18H19F3N2O3/c1-2-3-11-4-7-15(14(20)10-11)22-17-12(5-6-13(19)16(17)21)18(25)23-26-9-8-24/h4-7,10,22,24H,2-3,8-9H2,1H3,(H,23,25)
InChIKeyYNNNHTWSCUOBCU-UHFFFAOYSA-N
XLogP3.45
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 10216123
3,4-difluoro-2-[2-fluoro-4-(methylsulfanylmethyl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504105
3,4-difluoro-2-[2-fluoro-4-[(2S)-2-methylbutyl]anilino]-N-(2-hydroxyethoxy)benzamide
CID 87923083
3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide
CID 163632738
3,4-difluoro-2-[2-fluoro-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504099
3,4-difluoro-2-[2-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504106
3,4-difluoro-2-[2-fluoro-4-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504097
N-(2-ethenoxyethoxy)-3,4-difluoro-2-[2-fluoro-4-(3-iodopropyl)anilino]benzamide
CID 22025689
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
ethyl 4-[2,3-difluoro-6-(2-hydroxyethoxycarbamoyl)anilino]benzoate
CID 150191045
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
CID 143815087
4-[2-fluoro-4-(hydroxymethyl)anilino]-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 89335310

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide?
The IUPAC name of 3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide (CID 10126260) is 3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for 3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide?
The canonical SMILES for 3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide is CCCc1ccc(Nc2c(C(=O)NOCCO)ccc(F)c2F)c(F)c1.
What is the InChIKey of 3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide?
The InChIKey is YNNNHTWSCUOBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-2-3-11-4-7-15(14(20)10-11)22-17-12(5-6-13(19)16(17)21)18(25)23-26-9-8-24/h4-7,10,22,24H,2-3,8-9H2,1H3,(H,23,25).
What are the key properties of 3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide?
3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide has a molecular weight of 368.36 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 10126260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).