5-fluoro-2-methoxy-N,N,4-trimethylbenzamide

C11H14FNO2 — CID 164883070

IUPAC5-fluoro-2-methoxy-N,N,4-trimethylbenzamide
SMILESCOc1cc(C)c(F)cc1C(=O)N(C)C
InChIInChI=1S/C11H14FNO2/c1-7-5-10(15-4)8(6-9(7)12)11(14)13(2)3/h5-6H,1-4H3
InChIKeyQMQKYGOOEIKQPX-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.84
Rot. Bonds2

About 5-fluoro-2-methoxy-N,N,4-trimethylbenzamide

5-fluoro-2-methoxy-N,N,4-trimethylbenzamide (PubChem CID 164883070) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N,N,4-trimethylbenzamide
PubChem CID164883070
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name5-fluoro-2-methoxy-N,N,4-trimethylbenzamide
SMILESCOc1cc(C)c(F)cc1C(=O)N(C)C
InChIInChI=1S/C11H14FNO2/c1-7-5-10(15-4)8(6-9(7)12)11(14)13(2)3/h5-6H,1-4H3
InChIKeyQMQKYGOOEIKQPX-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-2-methoxy-N,N,4-trimethylbenzamide 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

(Z)-3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)prop-2-enamide
CID 143084517
2-(4-fluoro-2-methoxy-5-methylphenyl)-2-oxoacetic acid
CID 117302524
5-fluoro-N-methoxy-N,2,4-trimethylbenzamide
CID 89047148
5-fluoro-4-methoxy-2-methylbenzoic acid
CID 84769291
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
3-(dimethylamino)-1-(2-methoxy-4,5-dimethylphenyl)prop-2-yn-1-one
CID 116825467
2,4-dimethoxy-N,N-dimethyl-5-sulfamoylbenzamide
CID 65373113
N-butyl-2-methoxy-N,4,5-trimethylbenzamide
CID 110761549
4-tert-butyl-2-methoxy-N,N-dimethylbenzamide
CID 69030302
5-bromo-2-fluoro-N,N,4-trimethylbenzamide
CID 146171178
6-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 157021510
1-bromo-5-fluoro-2-methoxy-4-methylbenzene
CID 57022351

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N,N,4-trimethylbenzamide?
The IUPAC name of 5-fluoro-2-methoxy-N,N,4-trimethylbenzamide (CID 164883070) is 5-fluoro-2-methoxy-N,N,4-trimethylbenzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N,N,4-trimethylbenzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N,N,4-trimethylbenzamide is COc1cc(C)c(F)cc1C(=O)N(C)C.
What is the InChIKey of 5-fluoro-2-methoxy-N,N,4-trimethylbenzamide?
The InChIKey is QMQKYGOOEIKQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7-5-10(15-4)8(6-9(7)12)11(14)13(2)3/h5-6H,1-4H3.
What are the key properties of 5-fluoro-2-methoxy-N,N,4-trimethylbenzamide?
5-fluoro-2-methoxy-N,N,4-trimethylbenzamide has a molecular weight of 211.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N,N,4-trimethylbenzamide is sourced from PubChem (CID 164883070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).