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

C25H18N2O3 — CID 18846752

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C25H18N2O3/c1-29-20-14-8-13-19(15-20)24(28)27-25-21(16-26)22(17-9-4-2-5-10-17)23(30-25)18-11-6-3-7-12-18/h2-15H,1H3,(H,27,28)
InChIKeyQDZHZFVRMQQPJP-UHFFFAOYSA-N
MW394.43 g/mol
LogP5.75
Rot. Bonds5

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

N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide (PubChem CID 18846752) has the molecular formula C25H18N2O3 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
PubChem CID18846752
Molecular FormulaC25H18N2O3
Molecular Weight394.43 g/mol
Exact Mass394.13
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C25H18N2O3/c1-29-20-14-8-13-19(15-20)24(28)27-25-21(16-26)22(17-9-4-2-5-10-17)23(30-25)18-11-6-3-7-12-18/h2-15H,1H3,(H,27,28)
InChIKeyQDZHZFVRMQQPJP-UHFFFAOYSA-N
XLogP5.75
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 108757752
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 23993962
[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
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 108781749
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
[2-[[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]amino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 23907590
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677
methyl 3-[(3-cyano-4,5-dimethylfuran-2-yl)carbamoyl]benzoate
CID 108740250
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108802318

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide (CID 18846752) is N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide?
The InChIKey is QDZHZFVRMQQPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O3/c1-29-20-14-8-13-19(15-20)24(28)27-25-21(16-26)22(17-9-4-2-5-10-17)23(30-25)18-11-6-3-7-12-18/h2-15H,1H3,(H,27,28).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide has a molecular weight of 394.43 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide is sourced from PubChem (CID 18846752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).