2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide

C25H20N2O2 — CID 5016586

IUPAC2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide
SMILESCc1occc1C(=O)NN=C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20N2O2/c1-18-23(16-17-29-18)25(28)27-26-24(21-10-6-3-7-11-21)22-14-12-20(13-15-22)19-8-4-2-5-9-19/h2-17H,1H3,(H,27,28)
InChIKeyMBAFWHHXMIRVCO-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.44
Rot. Bonds5

About 2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide

2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide (PubChem CID 5016586) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide
PubChem CID5016586
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide
SMILESCc1occc1C(=O)NN=C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H20N2O2/c1-18-23(16-17-29-18)25(28)27-26-24(21-10-6-3-7-11-21)22-14-12-20(13-15-22)19-8-4-2-5-9-19/h2-17H,1H3,(H,27,28)
InChIKeyMBAFWHHXMIRVCO-UHFFFAOYSA-N
XLogP5.44
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359637
N-[(E)-1-[4-[(2-fluorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 5431788
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
N-[(E)-[1-(2-hydroxyphenyl)-3-phenylpropylidene]amino]-2-methylfuran-3-carboxamide
CID 135576103
2-methyl-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]furan-3-carboxamide
CID 9359525
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836
N-(fluoren-9-ylideneamino)-2-methylfuran-3-carboxamide
CID 801146
N-[1-(4-cyclopentylsulfonylphenyl)ethylideneamino]-2-methylfuran-3-carboxamide
CID 71897518
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-2-methylfuran-3-carboxamide
CID 3473890
(4-phenylphenyl) 2-methylfuran-3-carboxylate
CID 18206101
N-[4-[(E)-C-methyl-N-[(2-methylfuran-3-carbonyl)amino]carbonimidoyl]phenyl]pyridine-4-carboxamide
CID 5454909
N-(benzhydrylideneamino)-2-(methoxymethyl)benzamide
CID 39088960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide (CID 5016586) is 2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide is Cc1occc1C(=O)NN=C(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide?
The InChIKey is MBAFWHHXMIRVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-18-23(16-17-29-18)25(28)27-26-24(21-10-6-3-7-11-21)22-14-12-20(13-15-22)19-8-4-2-5-9-19/h2-17H,1H3,(H,27,28).
What are the key properties of 2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide?
2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[phenyl-(4-phenylphenyl)methylidene]amino]furan-3-carboxamide is sourced from PubChem (CID 5016586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).