2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile

C24H17FN2O — CID 155812020

IUPAC2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(NCc2ccc(F)cc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H17FN2O/c25-20-13-11-17(12-14-20)16-27-24-21(15-26)22(18-7-3-1-4-8-18)23(28-24)19-9-5-2-6-10-19/h1-14,27H,16H2
InChIKeyHVVPALWZTSORAG-UHFFFAOYSA-N
MW368.41 g/mol
LogP6.24
Rot. Bonds5

About 2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile

2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile (PubChem CID 155812020) has the molecular formula C24H17FN2O and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile
PubChem CID155812020
Molecular FormulaC24H17FN2O
Molecular Weight368.41 g/mol
Exact Mass368.13
IUPAC Name2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile
SMILESN#Cc1c(NCc2ccc(F)cc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H17FN2O/c25-20-13-11-17(12-14-20)16-27-24-21(15-26)22(18-7-3-1-4-8-18)23(28-24)19-9-5-2-6-10-19/h1-14,27H,16H2
InChIKeyHVVPALWZTSORAG-UHFFFAOYSA-N
XLogP6.24
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-4,5-diphenylfuran-3-carbonitrile
CID 108774400
N-(3-cyano-4,5-diphenylfuran-2-yl)methanesulfonamide
CID 108781743
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2475392
2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108757660
2-[[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]amino]-4,5-diphenylfuran-3-carbonitrile
CID 108774428
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108802318
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23876644

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile (CID 155812020) is 2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile is N#Cc1c(NCc2ccc(F)cc2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile?
The InChIKey is HVVPALWZTSORAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O/c25-20-13-11-17(12-14-20)16-27-24-21(15-26)22(18-7-3-1-4-8-18)23(28-24)19-9-5-2-6-10-19/h1-14,27H,16H2.
What are the key properties of 2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile?
2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile has a molecular weight of 368.41 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-4,5-diphenylfuran-3-carbonitrile is sourced from PubChem (CID 155812020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).