5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

C22H21ClN2O3 — CID 24978921

IUPAC5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C22H21ClN2O3/c1-14-4-5-15(2)18(12-14)24-21(26)13-25(3)22(27)20-11-10-19(28-20)16-6-8-17(23)9-7-16/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyRCIJISLSPWZLAV-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.93
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 24978921) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID24978921
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C22H21ClN2O3/c1-14-4-5-15(2)18(12-14)24-21(26)13-25(3)22(27)20-11-10-19(28-20)16-6-8-17(23)9-7-16/h4-12H,13H2,1-3H3,(H,24,26)
InChIKeyRCIJISLSPWZLAV-UHFFFAOYSA-N
XLogP4.93
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8914683
1-[[5-(4-chlorophenyl)furan-2-carbonyl]amino]-3-(2,5-dimethylphenyl)thiourea
CID 18871754
N-(5-chloro-2-methylphenyl)-5-(4-chlorophenyl)furan-2-carboxamide
CID 4873369
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35563379
3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 2672632
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113162766
2-[[2-(4-chlorophenyl)sulfanylacetyl]-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 7816336
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9043922
1-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18198033
2-(2,6-dichlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 2672667
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 24978921) is 5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is RCIJISLSPWZLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-14-4-5-15(2)18(12-14)24-21(26)13-25(3)22(27)20-11-10-19(28-20)16-6-8-17(23)9-7-16/h4-12H,13H2,1-3H3,(H,24,26).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 396.87 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 24978921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).