3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide

C18H18F4N2O4 — CID 123781335

IUPAC3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide
SMILESCc1cc(OC(F)(F)C(F)F)ccc1NC(=O)c1occc1C(C)(C)C(N)=O
InChIInChI=1S/C18H18F4N2O4/c1-9-8-10(28-18(21,22)15(19)20)4-5-12(9)24-14(25)13-11(6-7-27-13)17(2,3)16(23)26/h4-8,15H,1-3H3,(H2,23,26)(H,24,25)
InChIKeyYHPLEODOYDGYCJ-UHFFFAOYSA-N
MW402.34 g/mol
LogP3.84
Rot. Bonds7

About 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide

3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide (PubChem CID 123781335) has the molecular formula C18H18F4N2O4 and a molecular weight of 402.34 g/mol. Its IUPAC name is 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide
PubChem CID123781335
Molecular FormulaC18H18F4N2O4
Molecular Weight402.34 g/mol
Exact Mass402.12
IUPAC Name3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide
SMILESCc1cc(OC(F)(F)C(F)F)ccc1NC(=O)c1occc1C(C)(C)C(N)=O
InChIInChI=1S/C18H18F4N2O4/c1-9-8-10(28-18(21,22)15(19)20)4-5-12(9)24-14(25)13-11(6-7-27-13)17(2,3)16(23)26/h4-8,15H,1-3H3,(H2,23,26)(H,24,25)
InChIKeyYHPLEODOYDGYCJ-UHFFFAOYSA-N
XLogP3.84
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-2-furamide
CID 2246088
N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 306227
N-{4-methoxy-3-[(3-propoxybenzoyl)amino]phenyl}-2-furamide
CID 656254
N-(4-methoxy-1-naphthyl)-2-furamide
CID 721254
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722971
N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 795907
N-{2-[(3-ethoxybenzoyl)amino]-4-methylphenyl}-2-furamide
CID 1026582
N-(2-methyl-4-{[(3-methylphenoxy)acetyl]amino}phenyl)furan-2-carboxamide
CID 1141329
N-{3-[(2-methylphenyl)carbamoyl]phenyl}furan-2-carboxamide
CID 1262944
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylfuran-2-carboxamide
CID 3970919
N-[4-(4-methylphenoxy)phenyl]furan-2-carboxamide
CID 831035
AG-690/12889343
CID 1157621

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide (CID 123781335) is 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide is Cc1cc(OC(F)(F)C(F)F)ccc1NC(=O)c1occc1C(C)(C)C(N)=O.
What is the InChIKey of 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide?
The InChIKey is YHPLEODOYDGYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O4/c1-9-8-10(28-18(21,22)15(19)20)4-5-12(9)24-14(25)13-11(6-7-27-13)17(2,3)16(23)26/h4-8,15H,1-3H3,(H2,23,26)(H,24,25).
What are the key properties of 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide?
3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide has a molecular weight of 402.34 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[2-methyl-4-(1,1,2,2-tetrafluoroethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 123781335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).