N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide

C17H17FN2O4 — CID 96531126

IUPACN-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(N[C@H]2C[C@@H](C)OC2=O)ccc1F
InChIInChI=1S/C17H17FN2O4/c1-9-7-15(17(22)24-9)19-11-3-4-13(18)14(8-11)20-16(21)12-5-6-23-10(12)2/h3-6,8-9,15,19H,7H2,1-2H3,(H,20,21)/t9-,15+/m1/s1
InChIKeyZIUHPDHLZNTQJE-PSLIRLAXSA-N
MW332.33 g/mol
LogP3.10
Rot. Bonds4

About N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide

N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 96531126) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide
PubChem CID96531126
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC NameN-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(N[C@H]2C[C@@H](C)OC2=O)ccc1F
InChIInChI=1S/C17H17FN2O4/c1-9-7-15(17(22)24-9)19-11-3-4-13(18)14(8-11)20-16(21)12-5-6-23-10(12)2/h3-6,8-9,15,19H,7H2,1-2H3,(H,20,21)/t9-,15+/m1/s1
InChIKeyZIUHPDHLZNTQJE-PSLIRLAXSA-N
XLogP3.10
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-5-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 167889956
N-[2-chloro-4-[(5-methyl-2-oxooxolan-3-yl)amino]phenyl]furan-2-carboxamide
CID 154748555
N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46466434
N-[2-fluoro-5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-2-methylfuran-3-carboxamide
CID 51088761
N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707274
N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 96531122
N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55701949
N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 55707540
3-ethylsulfanyl-N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]azepane-1-carboxamide
CID 86939136
N-[3-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]benzamide
CID 95767473
(E)-3-[2-fluoro-5-[(2-methylfuran-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 104781347
N-[5-[2-(3-chlorophenoxy)propanoylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707775

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide (CID 96531126) is N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(N[C@H]2C[C@@H](C)OC2=O)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is ZIUHPDHLZNTQJE-PSLIRLAXSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-9-7-15(17(22)24-9)19-11-3-4-13(18)14(8-11)20-16(21)12-5-6-23-10(12)2/h3-6,8-9,15,19H,7H2,1-2H3,(H,20,21)/t9-,15+/m1/s1.
What are the key properties of N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide?
N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 96531126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).