N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

C21H25FN2O4 — CID 42916532

IUPACN-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SMILESCCOc1ccc(NC(=O)C(NC(=O)c2ccccc2F)C(C)C)cc1OC
InChIInChI=1S/C21H25FN2O4/c1-5-28-17-11-10-14(12-18(17)27-4)23-21(26)19(13(2)3)24-20(25)15-8-6-7-9-16(15)22/h6-13,19H,5H2,1-4H3,(H,23,26)(H,24,25)
InChIKeySUGCSFGLWKCFKU-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.63
Rot. Bonds8

About N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide

N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (PubChem CID 42916532) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
PubChem CID42916532
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SMILESCCOc1ccc(NC(=O)C(NC(=O)c2ccccc2F)C(C)C)cc1OC
InChIInChI=1S/C21H25FN2O4/c1-5-28-17-11-10-14(12-18(17)27-4)23-21(26)19(13(2)3)24-20(25)15-8-6-7-9-16(15)22/h6-13,19H,5H2,1-4H3,(H,23,26)(H,24,25)
InChIKeySUGCSFGLWKCFKU-UHFFFAOYSA-N
XLogP3.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 42910219
N-[(2S)-1-[1-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55942577
N-[(2S)-1-(4,5-dimethoxy-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 7612295
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2666159
N-[1-(4-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 3385077
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 4260266
2-fluoro-N-[(2R)-1-(2-methoxy-5-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2521734
2-fluoro-N-[(2S)-3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2664800
methyl 4-[[(2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 8014904
N-[(2S)-1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2634786
2-ethoxy-N-[(2S)-1-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 98396274
N-[(2S)-1-(4-acetylanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2634723

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide (CID 42916532) is N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is CCOc1ccc(NC(=O)C(NC(=O)c2ccccc2F)C(C)C)cc1OC.
What is the InChIKey of N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
The InChIKey is SUGCSFGLWKCFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-5-28-17-11-10-14(12-18(17)27-4)23-21(26)19(13(2)3)24-20(25)15-8-6-7-9-16(15)22/h6-13,19H,5H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide?
N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide has a molecular weight of 388.44 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxy-3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 42916532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).