5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

C17H17ClN2O3 — CID 76807293

IUPAC5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C1CC1
InChIInChI=1S/C17H17ClN2O3/c1-19-17(22)15(11-2-3-11)20-16(21)14-9-8-13(23-14)10-4-6-12(18)7-5-10/h4-9,11,15H,2-3H2,1H3,(H,19,22)(H,20,21)
InChIKeyASWYKIHXJVZGIX-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.85
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide

5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 76807293) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID76807293
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
SMILESCNC(=O)C(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C1CC1
InChIInChI=1S/C17H17ClN2O3/c1-19-17(22)15(11-2-3-11)20-16(21)14-9-8-13(23-14)10-4-6-12(18)7-5-10/h4-9,11,15H,2-3H2,1H3,(H,19,22)(H,20,21)
InChIKeyASWYKIHXJVZGIX-UHFFFAOYSA-N
XLogP2.85
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 74960677
5-(4-iodophenyl)-N-[(1S)-2-(methylamino)-2-oxo-1-piperidin-4-ylethyl]furan-2-carboxamide
CID 70669277
5-(4-cyanophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 76807256
5-(4-amino-3-nitrosophenyl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 91216509
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-4,5-dimethylfuran-2-carboxamide
CID 76807279
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 70226655
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-5-methylpyridine-3-carboxamide
CID 76807316
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
N-[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 70225462
5-(2-acetamido-3H-benzimidazol-5-yl)-N-[1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 77185504
5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227
N-[[4-[5-[[1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 76807347

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide (CID 76807293) is 5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide is CNC(=O)C(NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)C1CC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is ASWYKIHXJVZGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-19-17(22)15(11-2-3-11)20-16(21)14-9-8-13(23-14)10-4-6-12(18)7-5-10/h4-9,11,15H,2-3H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide?
5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 76807293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).