5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide

C19H14ClFN2O4 — CID 9089410

IUPAC5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(F)cc1
InChIInChI=1S/C19H14ClFN2O4/c1-11(12-2-4-13(21)5-3-12)22-19(24)18-9-8-17(27-18)15-7-6-14(23(25)26)10-16(15)20/h2-11H,1H3,(H,22,24)/t11-/m1/s1
InChIKeyFJGGKKVNVMNOHN-LLVKDONJSA-N
MW388.78 g/mol
LogP5.14
Rot. Bonds5

About 5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide

5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide (PubChem CID 9089410) has the molecular formula C19H14ClFN2O4 and a molecular weight of 388.78 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide
PubChem CID9089410
Molecular FormulaC19H14ClFN2O4
Molecular Weight388.78 g/mol
Exact Mass388.06
IUPAC Name5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(F)cc1
InChIInChI=1S/C19H14ClFN2O4/c1-11(12-2-4-13(21)5-3-12)22-19(24)18-9-8-17(27-18)15-7-6-14(23(25)26)10-16(15)20/h2-11H,1H3,(H,22,24)/t11-/m1/s1
InChIKeyFJGGKKVNVMNOHN-LLVKDONJSA-N
XLogP5.14
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.78
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide
CID 97011955
5-(2-chloro-4-nitrophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]furan-2-carboxamide
CID 51936855
5-(2,4-dichlorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 1292402
N-[1-(4-methylphenyl)ethyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5262323
5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 1307127
5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide
CID 9088085
5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075068
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
5-(2-chloro-4-nitrophenyl)-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 9082489
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(1-phenylethyl)prop-2-enamide
CID 6196976
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-chloro-4-nitrobenzoate
CID 16958687
2-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]-4-nitrobenzamide
CID 95943564

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide (CID 9089410) is 5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide is C[C@@H](NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(F)cc1.
What is the InChIKey of 5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide?
The InChIKey is FJGGKKVNVMNOHN-LLVKDONJSA-N. The full InChI is InChI=1S/C19H14ClFN2O4/c1-11(12-2-4-13(21)5-3-12)22-19(24)18-9-8-17(27-18)15-7-6-14(23(25)26)10-16(15)20/h2-11H,1H3,(H,22,24)/t11-/m1/s1.
What are the key properties of 5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide?
5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide has a molecular weight of 388.78 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 9089410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).