N-(4-chlorophenyl)-2-methylfuran-3-carboxamide

C12H10ClNO2 — CID 896199

IUPACN-(4-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO2/c1-8-11(6-7-16-8)12(15)14-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,14,15)
InChIKeyYURTZHJFMBUWGO-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.49
Rot. Bonds2

About N-(4-chlorophenyl)-2-methylfuran-3-carboxamide

N-(4-chlorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 896199) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methylfuran-3-carboxamide
PubChem CID896199
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC NameN-(4-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H10ClNO2/c1-8-11(6-7-16-8)12(15)14-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,14,15)
InChIKeyYURTZHJFMBUWGO-UHFFFAOYSA-N
XLogP3.49
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-methylfuran-3-carboxamide (CID 896199) is N-(4-chlorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is YURTZHJFMBUWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-8-11(6-7-16-8)12(15)14-10-4-2-9(13)3-5-10/h2-7H,1H3,(H,14,15).
What are the key properties of N-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
N-(4-chlorophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 235.67 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 896199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).