N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide

C21H18ClNO4 — CID 19416966

IUPACN-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1
InChIInChI=1S/C21H18ClNO4/c1-13-11-17(7-9-19(13)22)26-12-18-8-10-20(27-18)21(25)23-16-5-3-15(4-6-16)14(2)24/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyRKUVJTXUPLIFAS-UHFFFAOYSA-N
MW383.83 g/mol
LogP5.28
Rot. Bonds6

About N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide

N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19416966) has the molecular formula C21H18ClNO4 and a molecular weight of 383.83 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID19416966
Molecular FormulaC21H18ClNO4
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC NameN-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1
InChIInChI=1S/C21H18ClNO4/c1-13-11-17(7-9-19(13)22)26-12-18-8-10-20(27-18)21(25)23-16-5-3-15(4-6-16)14(2)24/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeyRKUVJTXUPLIFAS-UHFFFAOYSA-N
XLogP5.28
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.83
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carbonyl]amino]benzoate
CID 4050771
5-[(4-chloro-3-methylphenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 4605258
N-(4-acetamidophenyl)-5-[(4-acetylphenoxy)methyl]furan-2-carboxamide
CID 19455187
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416979
5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
5-[(4-acetylphenoxy)methyl]-N-[3-chloro-4-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19455289
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 19416994
5-[(3,4-dimethylphenoxy)methyl]-N-phenylfuran-2-carboxamide
CID 19450839
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-3-pyridinyl)furan-2-carboxamide
CID 1084332
5-[(4-chloro-3-methylphenoxy)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]furan-2-carboxamide
CID 19416952
5-[(4-chloro-3-methylphenoxy)methyl]-N-(2-chloro-5-nitrophenyl)furan-2-carboxamide
CID 19417030

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide (CID 19416966) is N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is RKUVJTXUPLIFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4/c1-13-11-17(7-9-19(13)22)26-12-18-8-10-20(27-18)21(25)23-16-5-3-15(4-6-16)14(2)24/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide?
N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 383.83 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19416966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).