[3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate

C23H22FN3O4 — CID 142440264

IUPAC[3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])c1ccco1)c1ccc(F)c(NC(=O)c2cc(CC)ccc2OCC)c1
InChIInChI=1S/C23H22FN3O4/c1-3-14-7-10-19(29-4-2)16(12-14)23(28)27-18-13-15(8-9-17(18)24)21(25)31-22(26)20-6-5-11-30-20/h5-13,25-26H,3-4H2,1-2H3,(H,27,28)/b25-21-,26-22+
InChIKeyHPUXERDKYCXVDO-KOUJMYIZSA-N
MW423.44 g/mol
LogP5.00
Rot. Bonds7

About [3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate

[3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate (PubChem CID 142440264) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is [3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate.

Molecular Properties

Compound Name[3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate
PubChem CID142440264
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name[3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate
SMILES[H]/N=C(\O/C(=N/[H])c1ccco1)c1ccc(F)c(NC(=O)c2cc(CC)ccc2OCC)c1
InChIInChI=1S/C23H22FN3O4/c1-3-14-7-10-19(29-4-2)16(12-14)23(28)27-18-13-15(8-9-17(18)24)21(25)31-22(26)20-6-5-11-30-20/h5-13,25-26H,3-4H2,1-2H3,(H,27,28)/b25-21-,26-22+
InChIKeyHPUXERDKYCXVDO-KOUJMYIZSA-N
XLogP5.00
TPSA108.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 55.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 135347303
furan-2-carboximidoyl 2-[[5-chloro-2-(difluoromethoxy)benzoyl]amino]pyridine-4-carboximidate
CID 142440207
N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1176514
5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 135347176
2-[[2,5-diethoxy-4-(furan-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1374341
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
[3-[(3-chloro-2-methoxybenzoyl)amino]benzenecarboximidoyl] furan-2-carboximidate
CID 142440085
N-[(4-ethoxy-3-methylphenyl)methyl]furan-2-carboxamide
CID 110781919
N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86938042
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
ethyl 2-[2,5-diethoxy-4-(furan-2-carbonylamino)anilino]-2-oxoacetate
CID 3186760
2-ethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 26358716

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate?
The IUPAC name of [3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate (CID 142440264) is [3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate.
What is the SMILES notation for [3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate?
The canonical SMILES for [3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate is [H]/N=C(\O/C(=N/[H])c1ccco1)c1ccc(F)c(NC(=O)c2cc(CC)ccc2OCC)c1.
What is the InChIKey of [3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate?
The InChIKey is HPUXERDKYCXVDO-KOUJMYIZSA-N. The full InChI is InChI=1S/C23H22FN3O4/c1-3-14-7-10-19(29-4-2)16(12-14)23(28)27-18-13-15(8-9-17(18)24)21(25)31-22(26)20-6-5-11-30-20/h5-13,25-26H,3-4H2,1-2H3,(H,27,28)/b25-21-,26-22+.
What are the key properties of [3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate?
[3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate has a molecular weight of 423.44 g/mol, XLogP of 5.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethoxy-5-ethylbenzoyl)amino]-4-fluorobenzenecarboximidoyl] furan-2-carboximidate is sourced from PubChem (CID 142440264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).