N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide

C24H23F2N3O4 — CID 55707540

IUPACN-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)ccc1F
InChIInChI=1S/C24H23F2N3O4/c1-13(2)21(29-22(30)15-4-6-16(25)7-5-15)24(32)27-17-8-9-19(26)20(12-17)28-23(31)18-10-11-33-14(18)3/h4-13,21H,1-3H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyWWGSUONBPRHERB-UHFFFAOYSA-N
MW455.46 g/mol
LogP4.51
Rot. Bonds7

About N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide

N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 55707540) has the molecular formula C24H23F2N3O4 and a molecular weight of 455.46 g/mol. Its IUPAC name is N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide
PubChem CID55707540
Molecular FormulaC24H23F2N3O4
Molecular Weight455.46 g/mol
Exact Mass455.17
IUPAC NameN-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)ccc1F
InChIInChI=1S/C24H23F2N3O4/c1-13(2)21(29-22(30)15-4-6-16(25)7-5-15)24(32)27-17-8-9-19(26)20(12-17)28-23(31)18-10-11-33-14(18)3/h4-13,21H,1-3H3,(H,27,32)(H,28,31)(H,29,30)
InChIKeyWWGSUONBPRHERB-UHFFFAOYSA-N
XLogP4.51
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide with MolForge

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Related Compounds

4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46466434
N-[(2S)-1-(3-chloro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 7610613
N-[5-[2-(3-chlorophenoxy)propanoylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707775
4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
CID 9255043
N-[2-fluoro-5-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 55913957
4-fluoro-N-[(2S)-3-methyl-1-(4-methyl-3-sulfamoylanilino)-1-oxobutan-2-yl]benzamide
CID 9256983
3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
CID 40972283
N-[1-[4-(dimethylamino)-3,5-difluoroanilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 55862542
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-[1-(3,4-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 42909230

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide (CID 55707540) is N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(NC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is WWGSUONBPRHERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O4/c1-13(2)21(29-22(30)15-4-6-16(25)7-5-15)24(32)27-17-8-9-19(26)20(12-17)28-23(31)18-10-11-33-14(18)3/h4-13,21H,1-3H3,(H,27,32)(H,28,31)(H,29,30).
What are the key properties of N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide?
N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 455.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55707540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).