N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide

C17H18ClNO2 — CID 71684755

IUPACN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H18ClNO2/c1-11-3-10-16(21-11)17(20)19(15-8-9-15)12(2)13-4-6-14(18)7-5-13/h3-7,10,12,15H,8-9H2,1-2H3
InChIKeyQWGMFKKNQLLCDO-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.61
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide

N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide (PubChem CID 71684755) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide
PubChem CID71684755
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H18ClNO2/c1-11-3-10-16(21-11)17(20)19(15-8-9-15)12(2)13-4-6-14(18)7-5-13/h3-7,10,12,15H,8-9H2,1-2H3
InChIKeyQWGMFKKNQLLCDO-UHFFFAOYSA-N
XLogP4.61
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide (CID 71684755) is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)N(C2CC2)C(C)c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide?
The InChIKey is QWGMFKKNQLLCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11-3-10-16(21-11)17(20)19(15-8-9-15)12(2)13-4-6-14(18)7-5-13/h3-7,10,12,15H,8-9H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-5-methylfuran-2-carboxamide is sourced from PubChem (CID 71684755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).