N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane

C19H23F3N2O4 — CID 143815087

IUPACN-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
SMILESCC.Cc1ccc(Nc2c(C(=O)NOCC(O)CO)ccc(F)c2F)c(F)c1
InChIInChI=1S/C17H17F3N2O4.C2H6/c1-9-2-5-14(13(19)6-9)21-16-11(3-4-12(18)15(16)20)17(25)22-26-8-10(24)7-23;1-2/h2-6,10,21,23-24H,7-8H2,1H3,(H,22,25);1-2H3
InChIKeyKXBDJGFNKUFFOI-UHFFFAOYSA-N
MW400.40 g/mol
LogP3.20
Rot. Bonds7

About N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane

N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane (PubChem CID 143815087) has the molecular formula C19H23F3N2O4 and a molecular weight of 400.40 g/mol. Its IUPAC name is N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane.

Molecular Properties

Compound NameN-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
PubChem CID143815087
Molecular FormulaC19H23F3N2O4
Molecular Weight400.40 g/mol
Exact Mass400.16
IUPAC NameN-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane
SMILESCC.Cc1ccc(Nc2c(C(=O)NOCC(O)CO)ccc(F)c2F)c(F)c1
InChIInChI=1S/C17H17F3N2O4.C2H6/c1-9-2-5-14(13(19)6-9)21-16-11(3-4-12(18)15(16)20)17(25)22-26-8-10(24)7-23;1-2/h2-6,10,21,23-24H,7-8H2,1H3,(H,22,25);1-2H3
InChIKeyKXBDJGFNKUFFOI-UHFFFAOYSA-N
XLogP3.20
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
N-(2,3-dihydroxypropoxy)-4-fluoro-5-(2-fluoro-4-methylanilino)-1,3-benzoxazole-6-carboxamide
CID 123631940
2-(2-chloro-4-iodoanilino)-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-[(2R)-2,3-dihydroxypropoxy]-3,4-difluorobenzamide
CID 45481529
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(E)-2-hydroxyethoxyiminomethyl]benzamide
CID 143019240
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
2-(2-chloro-4-methylanilino)-3,4-difluoro-N-(fluoromethoxy)benzamide
CID 143074005
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide
CID 164903450
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
[2-hydroxy-3-(methylideneamino)oxypropyl] 3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoate
CID 170207894
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
N-(2,3-dihydroxypropoxy)-7-(2-fluoro-4-methylanilino)-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide;ethane
CID 143806427

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane?
The IUPAC name of N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane (CID 143815087) is N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane.
What is the SMILES notation for N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane?
The canonical SMILES for N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane is CC.Cc1ccc(Nc2c(C(=O)NOCC(O)CO)ccc(F)c2F)c(F)c1.
What is the InChIKey of N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane?
The InChIKey is KXBDJGFNKUFFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4.C2H6/c1-9-2-5-14(13(19)6-9)21-16-11(3-4-12(18)15(16)20)17(25)22-26-8-10(24)7-23;1-2/h2-6,10,21,23-24H,7-8H2,1H3,(H,22,25);1-2H3.
What are the key properties of N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane?
N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane has a molecular weight of 400.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-methylanilino)benzamide;ethane is sourced from PubChem (CID 143815087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).