N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide

C18H19FN2O4 — CID 71781543

IUPACN'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1ccco1)C1CC1
InChIInChI=1S/C18H19FN2O4/c19-14-7-3-12(4-8-14)10-20-16(22)17(23)21-11-18(24,13-5-6-13)15-2-1-9-25-15/h1-4,7-9,13,24H,5-6,10-11H2,(H,20,22)(H,21,23)
InChIKeyYAKULMRWDXIXCI-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.45
Rot. Bonds6

About N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide

N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide (PubChem CID 71781543) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
PubChem CID71781543
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1ccco1)C1CC1
InChIInChI=1S/C18H19FN2O4/c19-14-7-3-12(4-8-14)10-20-16(22)17(23)21-11-18(24,13-5-6-13)15-2-1-9-25-15/h1-4,7-9,13,24H,5-6,10-11H2,(H,20,22)(H,21,23)
InChIKeyYAKULMRWDXIXCI-UHFFFAOYSA-N
XLogP1.45
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-fluorophenyl)oxamide
CID 121085578
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 95982419
N'-(2-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 95982418
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71781539
N-[(4-fluorophenyl)methyl]-N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 119101151
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide
CID 95982310
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013
4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085441
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide
CID 95982384
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 71781508
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
CID 71781476
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-phenylsulfanylpropanamide
CID 95982342

Frequently Asked Questions

What is the IUPAC name of N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide (CID 71781543) is N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide is O=C(NCc1ccc(F)cc1)C(=O)NCC(O)(c1ccco1)C1CC1.
What is the InChIKey of N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide?
The InChIKey is YAKULMRWDXIXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c19-14-7-3-12(4-8-14)10-20-16(22)17(23)21-11-18(24,13-5-6-13)15-2-1-9-25-15/h1-4,7-9,13,24H,5-6,10-11H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide?
N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide has a molecular weight of 346.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N-[(4-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 71781543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).