N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide

C19H14FN3O5 — CID 126152303

IUPACN-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C19H14FN3O5/c1-27-14-5-2-12(3-6-14)19(24)22-21-11-15-7-9-18(28-15)16-8-4-13(20)10-17(16)23(25)26/h2-11H,1H3,(H,22,24)/b21-11-
InChIKeyPRRTVZGDNOHPOZ-NHDPSOOVSA-N
MW383.34 g/mol
LogP3.77
Rot. Bonds6

About N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide

N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide (PubChem CID 126152303) has the molecular formula C19H14FN3O5 and a molecular weight of 383.34 g/mol. Its IUPAC name is N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide
PubChem CID126152303
Molecular FormulaC19H14FN3O5
Molecular Weight383.34 g/mol
Exact Mass383.09
IUPAC NameN-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1
InChIInChI=1S/C19H14FN3O5/c1-27-14-5-2-12(3-6-14)19(24)22-21-11-15-7-9-18(28-15)16-8-4-13(20)10-17(16)23(25)26/h2-11H,1H3,(H,22,24)/b21-11-
InChIKeyPRRTVZGDNOHPOZ-NHDPSOOVSA-N
XLogP3.77
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6005479
4-bromo-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126338945
2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126395548
4-acetamido-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 3883202
N-[(Z)-[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 9073127
N-[(Z)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 6055073
N-[[5-(4-fluoro-3-nitrophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 4589073
methyl 4-chloro-3-[5-[(Z)-[(4-methoxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126002913
N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126054425
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94829872
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883538
2-(4-bromoanilino)-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126365345

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide (CID 126152303) is N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1.
What is the InChIKey of N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide?
The InChIKey is PRRTVZGDNOHPOZ-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H14FN3O5/c1-27-14-5-2-12(3-6-14)19(24)22-21-11-15-7-9-18(28-15)16-8-4-13(20)10-17(16)23(25)26/h2-11H,1H3,(H,22,24)/b21-11-.
What are the key properties of N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide?
N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide has a molecular weight of 383.34 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-fluoro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 126152303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).