5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide

C20H14ClFN2O4 — CID 97011955

IUPAC5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide
SMILESO=C(N[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C20H14ClFN2O4/c21-16-9-13(24(26)27)5-6-14(16)18-7-8-19(28-18)20(25)23-17-10-15(17)11-1-3-12(22)4-2-11/h1-9,15,17H,10H2,(H,23,25)/t15-,17-/m0/s1
InChIKeyPBKWUTLBCJRWMT-RDJZCZTQSA-N
MW400.79 g/mol
LogP4.93
Rot. Bonds5

About 5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide

5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide (PubChem CID 97011955) has the molecular formula C20H14ClFN2O4 and a molecular weight of 400.79 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide
PubChem CID97011955
Molecular FormulaC20H14ClFN2O4
Molecular Weight400.79 g/mol
Exact Mass400.06
IUPAC Name5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide
SMILESO=C(N[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C20H14ClFN2O4/c21-16-9-13(24(26)27)5-6-14(16)18-7-8-19(28-18)20(25)23-17-10-15(17)11-1-3-12(22)4-2-11/h1-9,15,17H,10H2,(H,23,25)/t15-,17-/m0/s1
InChIKeyPBKWUTLBCJRWMT-RDJZCZTQSA-N
XLogP4.93
TPSA85.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.79
LogP ≤ 54.93
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-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9089410
5-(2-chloro-4-nitrophenyl)-N-[(1R,2S)-2-(dimethylamino)cyclopentyl]furan-2-carboxamide
CID 95776761
5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075068
5-(2-chloro-4-nitrophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]furan-2-carboxamide
CID 51936855
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-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 9082489
5-(2-chloro-4-nitrophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135648369
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl chloride
CID 17274097
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6009233
5-(2-chloro-4-nitrophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 1424128
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide (CID 97011955) is 5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide is O=C(N[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1.
What is the InChIKey of 5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide?
The InChIKey is PBKWUTLBCJRWMT-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H14ClFN2O4/c21-16-9-13(24(26)27)5-6-14(16)18-7-8-19(28-18)20(25)23-17-10-15(17)11-1-3-12(22)4-2-11/h1-9,15,17H,10H2,(H,23,25)/t15-,17-/m0/s1.
What are the key properties of 5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide?
5-(2-chloro-4-nitrophenyl)-N-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide has a molecular weight of 400.79 g/mol, XLogP of 4.93, 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-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]furan-2-carboxamide is sourced from PubChem (CID 97011955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).