N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide

C22H22FN3O4 — CID 55913957

IUPACN-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCOc1ccccc1NC(=O)C(C)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1
InChIInChI=1S/C22H22FN3O4/c1-13(21(27)25-18-6-4-5-7-20(18)29-3)24-15-8-9-17(23)19(12-15)26-22(28)16-10-11-30-14(16)2/h4-13,24H,1-3H3,(H,25,27)(H,26,28)
InChIKeyMYFFARNOXQIVGG-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.43
Rot. Bonds7

About N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide

N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 55913957) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide
PubChem CID55913957
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC NameN-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCOc1ccccc1NC(=O)C(C)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1
InChIInChI=1S/C22H22FN3O4/c1-13(21(27)25-18-6-4-5-7-20(18)29-3)24-15-8-9-17(23)19(12-15)26-22(28)16-10-11-30-14(16)2/h4-13,24H,1-3H3,(H,25,27)(H,26,28)
InChIKeyMYFFARNOXQIVGG-UHFFFAOYSA-N
XLogP4.43
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide with MolForge

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Related Compounds

2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 96531122
N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
CID 51088761
N-[5-[2-(3-chlorophenoxy)propanoylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707775
N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46469629
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 55707540
(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 7928579
2-(3,4-dimethylanilino)-N-(2-fluorophenyl)propanamide
CID 51167745

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide (CID 55913957) is N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide is COc1ccccc1NC(=O)C(C)Nc1ccc(F)c(NC(=O)c2ccoc2C)c1.
What is the InChIKey of N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is MYFFARNOXQIVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-13(21(27)25-18-6-4-5-7-20(18)29-3)24-15-8-9-17(23)19(12-15)26-22(28)16-10-11-30-14(16)2/h4-13,24H,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide?
N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55913957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).