N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide

C20H17ClN2O3 — CID 6492565

IUPACN-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)cc1
InChIInChI=1S/C20H17ClN2O3/c1-12-17(11-19(26-12)16-5-3-4-6-18(16)21)20(25)23-15-9-7-14(8-10-15)22-13(2)24/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyQJSHLGFSODVIKB-UHFFFAOYSA-N
MW368.82 g/mol
LogP5.12
Rot. Bonds4

About N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide

N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 6492565) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide
PubChem CID6492565
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC NameN-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)cc1
InChIInChI=1S/C20H17ClN2O3/c1-12-17(11-19(26-12)16-5-3-4-6-18(16)21)20(25)23-15-9-7-14(8-10-15)22-13(2)24/h3-11H,1-2H3,(H,22,24)(H,23,25)
InChIKeyQJSHLGFSODVIKB-UHFFFAOYSA-N
XLogP5.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-2-methylfuran-3-carboxylic acid
CID 4237243
N-(4-acetylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 16650627
2-methyl-N,5-bis(4-methylphenyl)furan-3-carboxamide
CID 16650715
N-(2-chlorophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 2742876
N-(4-iodophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 1340506
5-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-2-methylfuran-3-carboxamide
CID 2958681
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 17015561
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801
N-(4-bromophenyl)-5-(3,5-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18808826
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-(2-cyanophenyl)-5-(2,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 7464368
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18809202

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide (CID 6492565) is N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is QJSHLGFSODVIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-12-17(11-19(26-12)16-5-3-4-6-18(16)21)20(25)23-15-9-7-14(8-10-15)22-13(2)24/h3-11H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide?
N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-(2-chlorophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6492565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).