5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide

C20H18ClNO2 — CID 16651429

IUPAC5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H18ClNO2/c1-14-18(13-19(24-14)16-7-9-17(21)10-8-16)20(23)22-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,23)
InChIKeyMULMYWDQAFRKPV-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.88
Rot. Bonds5

About 5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide

5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide (PubChem CID 16651429) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
PubChem CID16651429
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H18ClNO2/c1-14-18(13-19(24-14)16-7-9-17(21)10-8-16)20(23)22-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,23)
InChIKeyMULMYWDQAFRKPV-UHFFFAOYSA-N
XLogP4.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 16651453
5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide
CID 16651520
N-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 16651378
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42107591
2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid
CID 10204236
5-chloro-2-hydroxy-N-[2-(4-phenylphenyl)ethyl]benzamide
CID 90932345
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 91062196
5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide
CID 16651382
N-(2-chlorophenyl)-2-methyl-5-phenylfuran-3-carboxamide
CID 2742876
N-[2-(4-chlorophenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691270
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide (CID 16651429) is 5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide is Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide?
The InChIKey is MULMYWDQAFRKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-14-18(13-19(24-14)16-7-9-17(21)10-8-16)20(23)22-12-11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,22,23).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide has a molecular weight of 339.82 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide is sourced from PubChem (CID 16651429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).