N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide

C13H17F2NO4 — CID 103770448

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCC(O)C(F)F)ccc1OC
InChIInChI=1S/C13H17F2NO4/c1-3-20-11-6-8(4-5-10(11)19-2)13(18)16-7-9(17)12(14)15/h4-6,9,12,17H,3,7H2,1-2H3,(H,16,18)
InChIKeyWXHHLGRELOHTFE-UHFFFAOYSA-N
MW289.28 g/mol
LogP1.45
Rot. Bonds7

About N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide

N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide (PubChem CID 103770448) has the molecular formula C13H17F2NO4 and a molecular weight of 289.28 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide
PubChem CID103770448
Molecular FormulaC13H17F2NO4
Molecular Weight289.28 g/mol
Exact Mass289.11
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCC(O)C(F)F)ccc1OC
InChIInChI=1S/C13H17F2NO4/c1-3-20-11-6-8(4-5-10(11)19-2)13(18)16-7-9(17)12(14)15/h4-6,9,12,17H,3,7H2,1-2H3,(H,16,18)
InChIKeyWXHHLGRELOHTFE-UHFFFAOYSA-N
XLogP1.45
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833549
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66166244
3-[(3-ethoxy-4-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 62675508
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
3-ethoxy-N-(2-ethylhexyl)-4-methoxybenzamide
CID 134016715
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
CID 64541242

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide (CID 103770448) is N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NCC(O)C(F)F)ccc1OC.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide?
The InChIKey is WXHHLGRELOHTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO4/c1-3-20-11-6-8(4-5-10(11)19-2)13(18)16-7-9(17)12(14)15/h4-6,9,12,17H,3,7H2,1-2H3,(H,16,18).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide has a molecular weight of 289.28 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 103770448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).