N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide

C14H14ClNO2 — CID 1247532

IUPACN-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2/c1-10-13(7-9-18-10)14(17)16-8-6-11-2-4-12(15)5-3-11/h2-5,7,9H,6,8H2,1H3,(H,16,17)
InChIKeyNOIISULKBZHFTG-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.21
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide (PubChem CID 1247532) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide
PubChem CID1247532
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO2/c1-10-13(7-9-18-10)14(17)16-8-6-11-2-4-12(15)5-3-11/h2-5,7,9H,6,8H2,1H3,(H,16,17)
InChIKeyNOIISULKBZHFTG-UHFFFAOYSA-N
XLogP3.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide (CID 1247532) is N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide?
The InChIKey is NOIISULKBZHFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-10-13(7-9-18-10)14(17)16-8-6-11-2-4-12(15)5-3-11/h2-5,7,9H,6,8H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide has a molecular weight of 263.72 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 1247532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).