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

C16H15F3N2O — CID 163632738

IUPAC3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide
SMILESCCCc1ccc(Nc2c(C(N)=O)ccc(F)c2F)c(F)c1
InChIInChI=1S/C16H15F3N2O/c1-2-3-9-4-7-13(12(18)8-9)21-15-10(16(20)22)5-6-11(17)14(15)19/h4-8,21H,2-3H2,1H3,(H2,20,22)
InChIKeyHXNMDVXGAGIYIA-UHFFFAOYSA-N
MW308.30 g/mol
LogP3.90
Rot. Bonds5

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

3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide (PubChem CID 163632738) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide.

Molecular Properties

Compound Name3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide
PubChem CID163632738
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide
SMILESCCCc1ccc(Nc2c(C(N)=O)ccc(F)c2F)c(F)c1
InChIInChI=1S/C16H15F3N2O/c1-2-3-9-4-7-13(12(18)8-9)21-15-10(16(20)22)5-6-11(17)14(15)19/h4-8,21H,2-3H2,1H3,(H2,20,22)
InChIKeyHXNMDVXGAGIYIA-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide
CID 10126260
2-fluoro-4-propylbenzamide
CID 175786906
3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 10216123
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
3,4-difluoro-2-[2-fluoro-4-[(2S)-2-methylbutyl]anilino]-N-(2-hydroxyethoxy)benzamide
CID 87923083
3,4-difluoro-2-[2-fluoro-4-(methylsulfanylmethyl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504105
2-(4-ethylsulfanyl-2-fluoroanilino)-3,4-difluorobenzoic acid
CID 22025691
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
N-(2-ethenoxyethoxy)-3,4-difluoro-2-[2-fluoro-4-(3-iodopropyl)anilino]benzamide
CID 22025689
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide?
The IUPAC name of 3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide (CID 163632738) is 3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide.
What is the SMILES notation for 3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide?
The canonical SMILES for 3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide is CCCc1ccc(Nc2c(C(N)=O)ccc(F)c2F)c(F)c1.
What is the InChIKey of 3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide?
The InChIKey is HXNMDVXGAGIYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-2-3-9-4-7-13(12(18)8-9)21-15-10(16(20)22)5-6-11(17)14(15)19/h4-8,21H,2-3H2,1H3,(H2,20,22).
What are the key properties of 3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide?
3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide has a molecular weight of 308.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide is sourced from PubChem (CID 163632738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).