4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide

C18H17ClN2O4 — CID 108740247

IUPAC4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1oc(C)c(C)c1C#N
InChIInChI=1S/C18H17ClN2O4/c1-10-11(2)25-18(14(10)9-20)21-17(23)7-5-15(22)13-8-12(19)4-6-16(13)24-3/h4,6,8H,5,7H2,1-3H3,(H,21,23)
InChIKeyIDXRFLJKXNWKFE-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.03
Rot. Bonds6

About 4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide

4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide (PubChem CID 108740247) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide
PubChem CID108740247
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1oc(C)c(C)c1C#N
InChIInChI=1S/C18H17ClN2O4/c1-10-11(2)25-18(14(10)9-20)21-17(23)7-5-15(22)13-8-12(19)4-6-16(13)24-3/h4,6,8H,5,7H2,1-3H3,(H,21,23)
InChIKeyIDXRFLJKXNWKFE-UHFFFAOYSA-N
XLogP4.03
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899
4-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 108796959
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 108796947
4-(5-chloro-2-methoxyphenyl)-N-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-4-oxobutanamide
CID 136782524
4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide
CID 108808249
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide
CID 78857275
4-(5-chloro-2-methoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-4-oxobutanamide
CID 108797085
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide
CID 108797043
4-(5-chloro-2-methoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]-4-oxobutanamide
CID 108808280
4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 108808232
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide (CID 108740247) is 4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1oc(C)c(C)c1C#N.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide?
The InChIKey is IDXRFLJKXNWKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-10-11(2)25-18(14(10)9-20)21-17(23)7-5-15(22)13-8-12(19)4-6-16(13)24-3/h4,6,8H,5,7H2,1-3H3,(H,21,23).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide?
4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide has a molecular weight of 360.80 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)-4-oxobutanamide is sourced from PubChem (CID 108740247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).