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

C10H12FNO2 — CID 23394049

IUPAC4-fluoro-N-methoxy-2,5-dimethylbenzamide
SMILESCONC(=O)c1cc(C)c(F)cc1C
InChIInChI=1S/C10H12FNO2/c1-6-5-9(11)7(2)4-8(6)10(13)12-14-3/h4-5H,1-3H3,(H,12,13)
InChIKeyKLQGJPKIODEHEN-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.73
Rot. Bonds2

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

4-fluoro-N-methoxy-2,5-dimethylbenzamide (PubChem CID 23394049) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-fluoro-N-methoxy-2,5-dimethylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-methoxy-2,5-dimethylbenzamide
PubChem CID23394049
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name4-fluoro-N-methoxy-2,5-dimethylbenzamide
SMILESCONC(=O)c1cc(C)c(F)cc1C
InChIInChI=1S/C10H12FNO2/c1-6-5-9(11)7(2)4-8(6)10(13)12-14-3/h4-5H,1-3H3,(H,12,13)
InChIKeyKLQGJPKIODEHEN-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

2,4-difluoro-N-methoxy-5-methylbenzamide
CID 23394047
4-fluoro-2,5-dimethylbenzamide
CID 119025196
2,3-difluoro-N-methoxy-4-methylbenzamide
CID 168957228
N-methoxy-4-methylthiophene-3-carboxamide
CID 79777235
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
ethyl 3-(2,4-difluoro-5-methylphenyl)-3-oxopropanoate
CID 156848320
methyl (2S)-2-(2,5-difluoro-4-methylphenyl)propanoate
CID 124636879
5-amino-4-fluoro-N,2-dimethylbenzamide
CID 130507342
methyl 2-chlorosulfonyl-4-fluoro-5-methylbenzoate
CID 104668063
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
methyl (2R)-2-[(2,4-difluoro-5-methylbenzoyl)amino]-3-methoxypropanoate
CID 97340531
methyl 2-(chloromethyl)-4-fluoro-5-methylbenzoate
CID 171020390

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methoxy-2,5-dimethylbenzamide?
The IUPAC name of 4-fluoro-N-methoxy-2,5-dimethylbenzamide (CID 23394049) is 4-fluoro-N-methoxy-2,5-dimethylbenzamide.
What is the SMILES notation for 4-fluoro-N-methoxy-2,5-dimethylbenzamide?
The canonical SMILES for 4-fluoro-N-methoxy-2,5-dimethylbenzamide is CONC(=O)c1cc(C)c(F)cc1C.
What is the InChIKey of 4-fluoro-N-methoxy-2,5-dimethylbenzamide?
The InChIKey is KLQGJPKIODEHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6-5-9(11)7(2)4-8(6)10(13)12-14-3/h4-5H,1-3H3,(H,12,13).
What are the key properties of 4-fluoro-N-methoxy-2,5-dimethylbenzamide?
4-fluoro-N-methoxy-2,5-dimethylbenzamide has a molecular weight of 197.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methoxy-2,5-dimethylbenzamide is sourced from PubChem (CID 23394049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).