4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide

C26H18ClN3O3 — CID 108757677

IUPAC4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
SMILESN#Cc1c(NC(=O)CNC(=O)c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H18ClN3O3/c27-20-13-11-19(12-14-20)25(32)29-16-22(31)30-26-21(15-28)23(17-7-3-1-4-8-17)24(33-26)18-9-5-2-6-10-18/h1-14H,16H2,(H,29,32)(H,30,31)
InChIKeyPSIHRAHNILZCDN-UHFFFAOYSA-N
MW455.90 g/mol
LogP5.51
Rot. Bonds6

About 4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide

4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 108757677) has the molecular formula C26H18ClN3O3 and a molecular weight of 455.90 g/mol. Its IUPAC name is 4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID108757677
Molecular FormulaC26H18ClN3O3
Molecular Weight455.90 g/mol
Exact Mass455.10
IUPAC Name4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
SMILESN#Cc1c(NC(=O)CNC(=O)c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H18ClN3O3/c27-20-13-11-19(12-14-20)25(32)29-16-22(31)30-26-21(15-28)23(17-7-3-1-4-8-17)24(33-26)18-9-5-2-6-10-18/h1-14H,16H2,(H,29,32)(H,30,31)
InChIKeyPSIHRAHNILZCDN-UHFFFAOYSA-N
XLogP5.51
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.90
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
3-(2-chlorophenoxy)-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108802318
2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799328
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide
CID 108757692
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-formylbenzoate
CID 23876644
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802771
2-(1-adamantyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 108757680
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(3,4-dimethylphenoxy)acetamide
CID 108757727
N-[4,5-bis(4-tert-butylphenyl)-3-cyanofuran-2-yl]-2-chloroacetamide
CID 2341202
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 23822759

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide (CID 108757677) is 4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide is N#Cc1c(NC(=O)CNC(=O)c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is PSIHRAHNILZCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O3/c27-20-13-11-19(12-14-20)25(32)29-16-22(31)30-26-21(15-28)23(17-7-3-1-4-8-17)24(33-26)18-9-5-2-6-10-18/h1-14H,16H2,(H,29,32)(H,30,31).
What are the key properties of 4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 455.90 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 108757677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).