N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide

C18H19FN2O3 — CID 134351040

IUPACN-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCOc1ccc(F)cc1NC(=O)C(C)NC(=O)c1ccccc1C
InChIInChI=1S/C18H19FN2O3/c1-11-6-4-5-7-14(11)18(23)20-12(2)17(22)21-15-10-13(19)8-9-16(15)24-3/h4-10,12H,1-3H3,(H,20,23)(H,21,22)
InChIKeyLDQYTOQWQXIHIC-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide

N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide (PubChem CID 134351040) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
PubChem CID134351040
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
SMILESCOc1ccc(F)cc1NC(=O)C(C)NC(=O)c1ccccc1C
InChIInChI=1S/C18H19FN2O3/c1-11-6-4-5-7-14(11)18(23)20-12(2)17(22)21-15-10-13(19)8-9-16(15)24-3/h4-10,12H,1-3H3,(H,20,23)(H,21,22)
InChIKeyLDQYTOQWQXIHIC-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 51605145
2-methoxy-N-[1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46745823
2-fluoro-N-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 51606040
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994
[1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 16565676
N-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 92664875
2-fluoro-N-[(2R)-1-(2-methoxy-5-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2521734
5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019
N-[(2S)-1-(4,5-dimethoxy-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 7612295
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 51604984

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide (CID 134351040) is N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide is COc1ccc(F)cc1NC(=O)C(C)NC(=O)c1ccccc1C.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
The InChIKey is LDQYTOQWQXIHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-11-6-4-5-7-14(11)18(23)20-12(2)17(22)21-15-10-13(19)8-9-16(15)24-3/h4-10,12H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide?
N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide has a molecular weight of 330.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyanilino)-1-oxopropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 134351040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).