1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile

C20H10Cl2N2O2 — CID 91689506

IUPAC1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile
SMILESN#Cc1cn(C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c2ccccc12
InChIInChI=1S/C20H10Cl2N2O2/c21-14-7-12(8-15(22)9-14)18-5-6-19(26-18)20(25)24-11-13(10-23)16-3-1-2-4-17(16)24/h1-9,11H
InChIKeyURBSQIWLNWDAFC-UHFFFAOYSA-N
MW381.22 g/mol
LogP5.77
Rot. Bonds2

About 1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile

1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile (PubChem CID 91689506) has the molecular formula C20H10Cl2N2O2 and a molecular weight of 381.22 g/mol. Its IUPAC name is 1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile
PubChem CID91689506
Molecular FormulaC20H10Cl2N2O2
Molecular Weight381.22 g/mol
Exact Mass380.01
IUPAC Name1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile
SMILESN#Cc1cn(C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c2ccccc12
InChIInChI=1S/C20H10Cl2N2O2/c21-14-7-12(8-15(22)9-14)18-5-6-19(26-18)20(25)24-11-13(10-23)16-3-1-2-4-17(16)24/h1-9,11H
InChIKeyURBSQIWLNWDAFC-UHFFFAOYSA-N
XLogP5.77
TPSA58.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.22
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-chloro-5-nitrophenyl)furan-2-carbonyl]indole-3-carbonitrile
CID 91689495
1-[5-(4-methoxy-3-nitrophenyl)furan-2-carbonyl]indole-3-carbonitrile
CID 91689497
1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide
CID 100817354
1-(4-methylbenzoyl)indole-3-carbonitrile
CID 14978069
1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile
CID 91689416
1-(2-fluorobenzoyl)indole-3-carbonitrile
CID 82122318
[5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone
CID 100817570
1-[5-(2-chloro-4-nitrophenyl)furan-2-carbonyl]indole-3-carbaldehyde
CID 100817588
1-(2,2,2-trifluoroacetyl)indole-3-carbonitrile
CID 91689409
1-[5-(3,5-dichlorophenyl)furan-2-yl]ethanone
CID 2805836
1-(3-propan-2-yloxybenzoyl)indole-3-carbonitrile
CID 90643210
1-(3-fluoro-4-phenoxybenzoyl)indole-3-carbonitrile
CID 91689562

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile?
The IUPAC name of 1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile (CID 91689506) is 1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile.
What is the SMILES notation for 1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile?
The canonical SMILES for 1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile is N#Cc1cn(C(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c2ccccc12.
What is the InChIKey of 1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile?
The InChIKey is URBSQIWLNWDAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2N2O2/c21-14-7-12(8-15(22)9-14)18-5-6-19(26-18)20(25)24-11-13(10-23)16-3-1-2-4-17(16)24/h1-9,11H.
What are the key properties of 1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile?
1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile has a molecular weight of 381.22 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile is sourced from PubChem (CID 91689506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).