N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide

C17H16FN3O6 — CID 121085621

IUPACN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
SMILESO=C(NCC(O)(c1ccco1)C1CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16FN3O6/c18-12-6-5-11(8-13(12)21(25)26)20-16(23)15(22)19-9-17(24,10-3-4-10)14-2-1-7-27-14/h1-2,5-8,10,24H,3-4,9H2,(H,19,22)(H,20,23)
InChIKeyDTYYPIREAALPSV-UHFFFAOYSA-N
MW377.33 g/mol
LogP1.68
Rot. Bonds6

About N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide (PubChem CID 121085621) has the molecular formula C17H16FN3O6 and a molecular weight of 377.33 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
PubChem CID121085621
Molecular FormulaC17H16FN3O6
Molecular Weight377.33 g/mol
Exact Mass377.10
IUPAC NameN-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
SMILESO=C(NCC(O)(c1ccco1)C1CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16FN3O6/c18-12-6-5-11(8-13(12)21(25)26)20-16(23)15(22)19-9-17(24,10-3-4-10)14-2-1-7-27-14/h1-2,5-8,10,24H,3-4,9H2,(H,19,22)(H,20,23)
InChIKeyDTYYPIREAALPSV-UHFFFAOYSA-N
XLogP1.68
TPSA134.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide
CID 41454116
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 71781539
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]oxamide
CID 95983710
3-cyclopentyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 874154
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide
CID 95982384
2-cyclohexyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 4784963
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] furan-2-carboxylate
CID 2715186
4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide
CID 2687981
1-(4-butoxyphenyl)-3-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]urea
CID 121085653
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]oxamide
CID 124891179

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide?
The IUPAC name of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide (CID 121085621) is N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide.
What is the SMILES notation for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide?
The canonical SMILES for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide is O=C(NCC(O)(c1ccco1)C1CC1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide?
The InChIKey is DTYYPIREAALPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O6/c18-12-6-5-11(8-13(12)21(25)26)20-16(23)15(22)19-9-17(24,10-3-4-10)14-2-1-7-27-14/h1-2,5-8,10,24H,3-4,9H2,(H,19,22)(H,20,23).
What are the key properties of N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide?
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide has a molecular weight of 377.33 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-N'-(4-fluoro-3-nitrophenyl)oxamide is sourced from PubChem (CID 121085621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).