N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide

C25H18N2O2 — CID 108757664

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H18N2O2/c1-17-12-14-20(15-13-17)24(28)27-25-21(16-26)22(18-8-4-2-5-9-18)23(29-25)19-10-6-3-7-11-19/h2-15H,1H3,(H,27,28)
InChIKeyIQCOVBQXPOSBDQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP6.05
Rot. Bonds4

About N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide (PubChem CID 108757664) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
PubChem CID108757664
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H18N2O2/c1-17-12-14-20(15-13-17)24(28)27-25-21(16-26)22(18-8-4-2-5-9-18)23(29-25)19-10-6-3-7-11-19/h2-15H,1H3,(H,27,28)
InChIKeyIQCOVBQXPOSBDQ-UHFFFAOYSA-N
XLogP6.05
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 108757752
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide
CID 108757692
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
CID 18846752
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771
(2R)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide
CID 2422827
(2S)-N-[3-cyano-4,5-bis(4-methylphenyl)furan-2-yl]-2-phenoxypropanamide
CID 2422829
2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108757660
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide
CID 108762728
N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide
CID 23941523

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide (CID 108757664) is N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide?
The InChIKey is IQCOVBQXPOSBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-17-12-14-20(15-13-17)24(28)27-25-21(16-26)22(18-8-4-2-5-9-18)23(29-25)19-10-6-3-7-11-19/h2-15H,1H3,(H,27,28).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide is sourced from PubChem (CID 108757664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).