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

C11H13F2NO3 — CID 104857085

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H13F2NO3/c1-17-9-5-3-2-4-8(9)10(16)14-6-11(12,13)7-15/h2-5,15H,6-7H2,1H3,(H,14,16)
InChIKeyUBAAWNKTDQIDFH-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.05
Rot. Bonds5

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

N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide (PubChem CID 104857085) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
PubChem CID104857085
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H13F2NO3/c1-17-9-5-3-2-4-8(9)10(16)14-6-11(12,13)7-15/h2-5,15H,6-7H2,1H3,(H,14,16)
InChIKeyUBAAWNKTDQIDFH-UHFFFAOYSA-N
XLogP1.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide
CID 104857991
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-5-nitrobenzamide
CID 104857202
2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 175049799
N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
CID 104858075
N-(2-cyano-2-methylpropyl)-2-methoxybenzamide
CID 113372695
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxy-6-nitrobenzamide
CID 106168769
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934760
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-2-methoxybenzamide
CID 95983592
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
CID 104857865
N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide
CID 104857627

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide (CID 104857085) is N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide is COc1ccccc1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide?
The InChIKey is UBAAWNKTDQIDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-17-9-5-3-2-4-8(9)10(16)14-6-11(12,13)7-15/h2-5,15H,6-7H2,1H3,(H,14,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide has a molecular weight of 245.22 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide is sourced from PubChem (CID 104857085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).