4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide

C15H13ClN2O4 — CID 108763234

IUPAC4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C15H13ClN2O4/c1-7(19)11-8(2)22-15(12(11)13(17)20)18-14(21)9-3-5-10(16)6-4-9/h3-6H,1-2H3,(H2,17,20)(H,18,21)
InChIKeyQJQCDXWIHXPVOM-UHFFFAOYSA-N
MW320.73 g/mol
LogP2.80
Rot. Bonds4

About 4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide

4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide (PubChem CID 108763234) has the molecular formula C15H13ClN2O4 and a molecular weight of 320.73 g/mol. Its IUPAC name is 4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound Name4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
PubChem CID108763234
Molecular FormulaC15H13ClN2O4
Molecular Weight320.73 g/mol
Exact Mass320.06
IUPAC Name4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide
SMILESCC(=O)c1c(C)oc(NC(=O)c2ccc(Cl)cc2)c1C(N)=O
InChIInChI=1S/C15H13ClN2O4/c1-7(19)11-8(2)22-15(12(11)13(17)20)18-14(21)9-3-5-10(16)6-4-9/h3-6H,1-2H3,(H2,17,20)(H,18,21)
InChIKeyQJQCDXWIHXPVOM-UHFFFAOYSA-N
XLogP2.80
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-5-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]furan-3-carboxamide
CID 108740756
4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763285
ethyl 4-carbamoyl-5-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-2-methylfuran-3-carboxylate
CID 108757037
4-acetyl-5-methyl-2-(naphthalene-1-carbonylamino)furan-3-carboxamide
CID 108763362
N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108740722
4-acetyl-2-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-5-methylfuran-3-carboxamide
CID 108740715
4-acetyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]furan-3-carboxamide
CID 108740607
4-acetyl-2-[[2-(2-methoxyethoxy)acetyl]amino]-5-methylfuran-3-carboxamide
CID 108740663
4-acetyl-2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-5-methylfuran-3-carboxamide
CID 108763257
4-acetyl-5-methyl-2-[(2-naphthalen-1-ylacetyl)amino]furan-3-carboxamide
CID 108740762
4-acetyl-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-5-methylfuran-3-carboxamide
CID 108776609
ethyl 4-carbamoyl-5-[2-(4-chlorophenoxy)propanoylamino]-2-methylfuran-3-carboxylate
CID 108757120

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide?
The IUPAC name of 4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide (CID 108763234) is 4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide.
What is the SMILES notation for 4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide?
The canonical SMILES for 4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide is CC(=O)c1c(C)oc(NC(=O)c2ccc(Cl)cc2)c1C(N)=O.
What is the InChIKey of 4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide?
The InChIKey is QJQCDXWIHXPVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O4/c1-7(19)11-8(2)22-15(12(11)13(17)20)18-14(21)9-3-5-10(16)6-4-9/h3-6H,1-2H3,(H2,17,20)(H,18,21).
What are the key properties of 4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide?
4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide has a molecular weight of 320.73 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-[(4-chlorobenzoyl)amino]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 108763234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).