3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide

C19H21F3N2O4 — CID 10216123

IUPAC3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide
SMILESCOCCCc1ccc(Nc2c(C(=O)NOCCO)ccc(F)c2F)c(F)c1
InChIInChI=1S/C19H21F3N2O4/c1-27-9-2-3-12-4-7-16(15(21)11-12)23-18-13(5-6-14(20)17(18)22)19(26)24-28-10-8-25/h4-7,11,23,25H,2-3,8-10H2,1H3,(H,24,26)
InChIKeyBLKAWOWOMYXIDE-UHFFFAOYSA-N
MW398.38 g/mol
LogP3.08
Rot. Bonds10

About 3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide

3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide (PubChem CID 10216123) has the molecular formula C19H21F3N2O4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound Name3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide
PubChem CID10216123
Molecular FormulaC19H21F3N2O4
Molecular Weight398.38 g/mol
Exact Mass398.15
IUPAC Name3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide
SMILESCOCCCc1ccc(Nc2c(C(=O)NOCCO)ccc(F)c2F)c(F)c1
InChIInChI=1S/C19H21F3N2O4/c1-27-9-2-3-12-4-7-16(15(21)11-12)23-18-13(5-6-14(20)17(18)22)19(26)24-28-10-8-25/h4-7,11,23,25H,2-3,8-10H2,1H3,(H,24,26)
InChIKeyBLKAWOWOMYXIDE-UHFFFAOYSA-N
XLogP3.08
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide 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-propylanilino)-N-(2-hydroxyethoxy)benzamide
CID 10126260
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
N-(2-ethenoxyethoxy)-3,4-difluoro-2-[2-fluoro-4-(3-iodopropyl)anilino]benzamide
CID 22025689
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-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504099
3,4-difluoro-2-[2-fluoro-4-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504097
3,4-difluoro-2-(2-fluoro-4-propylanilino)benzamide
CID 163632738
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(3-hydroxypentoxy)benzamide
CID 22286512
4-[2-fluoro-4-(hydroxymethyl)anilino]-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 89335310
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
6-[[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]amino]oxy-2-methylhexanoic acid
CID 87690816

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide?
The IUPAC name of 3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide (CID 10216123) is 3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for 3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide?
The canonical SMILES for 3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide is COCCCc1ccc(Nc2c(C(=O)NOCCO)ccc(F)c2F)c(F)c1.
What is the InChIKey of 3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide?
The InChIKey is BLKAWOWOMYXIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O4/c1-27-9-2-3-12-4-7-16(15(21)11-12)23-18-13(5-6-14(20)17(18)22)19(26)24-28-10-8-25/h4-7,11,23,25H,2-3,8-10H2,1H3,(H,24,26).
What are the key properties of 3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide?
3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide has a molecular weight of 398.38 g/mol, XLogP of 3.08, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 10216123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).