N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide

C12H15F2NO4 — CID 104857991

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(F)(F)CO)c1OC
InChIInChI=1S/C12H15F2NO4/c1-18-9-5-3-4-8(10(9)19-2)11(17)15-6-12(13,14)7-16/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyVQCPDFMVAFHDFD-UHFFFAOYSA-N
MW275.25 g/mol
LogP1.06
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide

N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide (PubChem CID 104857991) has the molecular formula C12H15F2NO4 and a molecular weight of 275.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide
PubChem CID104857991
Molecular FormulaC12H15F2NO4
Molecular Weight275.25 g/mol
Exact Mass275.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(F)(F)CO)c1OC
InChIInChI=1S/C12H15F2NO4/c1-18-9-5-3-4-8(10(9)19-2)11(17)15-6-12(13,14)7-16/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeyVQCPDFMVAFHDFD-UHFFFAOYSA-N
XLogP1.06
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
3-[(2,3-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368352
N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
CID 104858075
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 106164172
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-6-nitrobenzamide
CID 106168769
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide (CID 104857991) is N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC(F)(F)CO)c1OC.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide?
The InChIKey is VQCPDFMVAFHDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4/c1-18-9-5-3-4-8(10(9)19-2)11(17)15-6-12(13,14)7-16/h3-5,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide?
N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide has a molecular weight of 275.25 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 104857991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).