N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide

C14H11ClN2O2 — CID 78780293

IUPACN-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)o1
InChIInChI=1S/C14H11ClN2O2/c1-8-5-12(9(2)19-8)14(18)17-11-4-3-10(7-16)13(15)6-11/h3-6H,1-2H3,(H,17,18)
InChIKeyGKQVWVYEGDBVBV-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.67
Rot. Bonds2

About N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide

N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 78780293) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID78780293
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC NameN-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)o1
InChIInChI=1S/C14H11ClN2O2/c1-8-5-12(9(2)19-8)14(18)17-11-4-3-10(7-16)13(15)6-11/h3-6H,1-2H3,(H,17,18)
InChIKeyGKQVWVYEGDBVBV-UHFFFAOYSA-N
XLogP3.67
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 60628705
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 47063347
N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811743
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237328
N-(3-chloro-4-cyanophenyl)furan-3-carboxamide
CID 27033866
N-(3-chloro-4-cyanophenyl)-5-fluoro-2-methoxybenzamide
CID 31115517
5-[(3-chloro-4-cyanophenyl)carbamoyl]furan-3-carboxylic acid
CID 104607066
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81255856
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
N-(4-bromo-3-fluorophenyl)-2,5-dimethylfuran-3-carboxamide
CID 65431807

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide (CID 78780293) is N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)o1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is GKQVWVYEGDBVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-8-5-12(9(2)19-8)14(18)17-11-4-3-10(7-16)13(15)6-11/h3-6H,1-2H3,(H,17,18).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide?
N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 274.71 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 78780293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).