N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide

C18H13Cl2NO2 — CID 2742801

IUPACN-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H13Cl2NO2/c1-11-14(18(22)21-16-5-3-2-4-15(16)20)10-17(23-11)12-6-8-13(19)9-7-12/h2-10H,1H3,(H,21,22)
InChIKeyCRZNYHBZHWKNCR-UHFFFAOYSA-N
MW346.21 g/mol
LogP5.81
Rot. Bonds3

About N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide

N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide (PubChem CID 2742801) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
PubChem CID2742801
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC NameN-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H13Cl2NO2/c1-11-14(18(22)21-16-5-3-2-4-15(16)20)10-17(23-11)12-6-8-13(19)9-7-12/h2-10H,1H3,(H,21,22)
InChIKeyCRZNYHBZHWKNCR-UHFFFAOYSA-N
XLogP5.81
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide (CID 2742801) is N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide is Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
The InChIKey is CRZNYHBZHWKNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-11-14(18(22)21-16-5-3-2-4-15(16)20)10-17(23-11)12-6-8-13(19)9-7-12/h2-10H,1H3,(H,21,22).
What are the key properties of N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide?
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide has a molecular weight of 346.21 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 2742801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).