N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide

C12H16FNO2 — CID 171905662

IUPACN,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide
SMILESCCN(CC)C(=O)c1c(C)cc(O)cc1F
InChIInChI=1S/C12H16FNO2/c1-4-14(5-2)12(16)11-8(3)6-9(15)7-10(11)13/h6-7,15H,4-5H2,1-3H3
InChIKeyGNMJWDBJTDPHQO-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.32
Rot. Bonds3

About N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide

N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide (PubChem CID 171905662) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide
PubChem CID171905662
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC NameN,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide
SMILESCCN(CC)C(=O)c1c(C)cc(O)cc1F
InChIInChI=1S/C12H16FNO2/c1-4-14(5-2)12(16)11-8(3)6-9(15)7-10(11)13/h6-7,15H,4-5H2,1-3H3
InChIKeyGNMJWDBJTDPHQO-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(2-fluoro-4-hydroxy-6-methylphenyl)ethanone
CID 171020338
N,N-diethyl-2-fluoro-6-methyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 171365241
N,N-diethyl-4-hydroxy-2-methylbenzamide
CID 103863610
N-butyl-N-ethyl-2,4-difluoro-6-hydroxybenzamide
CID 60599171
N-(3-aminopropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 65101704
5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide
CID 146171179
azetidin-1-yl-(2-fluoro-4-hydroxy-6-methylphenyl)methanone
CID 171905666
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677539
3-[ethyl-(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674771
N,N-diethyl-4-(2,4,6-trimethylbenzoyl)benzamide
CID 869554
N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677720
N-cyclobutyl-2-fluoro-4-hydroxy-6-methylbenzamide
CID 171905656

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide?
The IUPAC name of N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide (CID 171905662) is N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide.
What is the SMILES notation for N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide?
The canonical SMILES for N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide is CCN(CC)C(=O)c1c(C)cc(O)cc1F.
What is the InChIKey of N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide?
The InChIKey is GNMJWDBJTDPHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-4-14(5-2)12(16)11-8(3)6-9(15)7-10(11)13/h6-7,15H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide?
N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide has a molecular weight of 225.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-4-hydroxy-6-methylbenzamide is sourced from PubChem (CID 171905662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).