N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

C18H14ClN3O2 — CID 86906820

IUPACN-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N
InChIInChI=1S/C18H14ClN3O2/c1-11-5-6-13(19)9-15(11)21-17(23)16-12(2)24-18(14(16)10-20)22-7-3-4-8-22/h3-9H,1-2H3,(H,21,23)
InChIKeyDIMZFPQVHSKMSV-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.46
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide

N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (PubChem CID 86906820) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
PubChem CID86906820
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N
InChIInChI=1S/C18H14ClN3O2/c1-11-5-6-13(19)9-15(11)21-17(23)16-12(2)24-18(14(16)10-20)22-7-3-4-8-22/h3-9H,1-2H3,(H,21,23)
InChIKeyDIMZFPQVHSKMSV-UHFFFAOYSA-N
XLogP4.46
TPSA70.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Related Compounds

(3-chlorophenyl)methyl 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782450
4-cyano-2-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-ylfuran-3-carboxamide
CID 32914668
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
4-cyano-N'-(4-ethoxybenzoyl)-2-methyl-5-pyrrol-1-ylfuran-3-carbohydrazide
CID 28536647
4-cyano-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 17495664
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782626
4-cyano-2-methyl-5-pyrrol-1-yl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]furan-3-carboxamide
CID 31871947
4-cyano-N-[2-(2-hydroxyethyl)pentyl]-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide
CID 111697297
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
CID 8782635
N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463007

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide (CID 86906820) is N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1c(C)oc(-n2cccc2)c1C#N.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
The InChIKey is DIMZFPQVHSKMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-11-5-6-13(19)9-15(11)21-17(23)16-12(2)24-18(14(16)10-20)22-7-3-4-8-22/h3-9H,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide?
N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxamide is sourced from PubChem (CID 86906820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).