N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide

C28H26ClNO2 — CID 141030230

IUPACN-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2cc(Cl)ccc2o1)N(Cc1ccccc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C28H26ClNO2/c29-24-13-16-26-23(17-24)18-27(32-26)28(31)30(19-20-7-3-1-4-8-20)25-14-11-22(12-15-25)21-9-5-2-6-10-21/h1,3-4,7-8,11-18,21H,2,5-6,9-10,19H2
InChIKeyRYXMJTCOTHPIAE-UHFFFAOYSA-N
MW443.97 g/mol
LogP7.98
Rot. Bonds5

About N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide

N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 141030230) has the molecular formula C28H26ClNO2 and a molecular weight of 443.97 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide
PubChem CID141030230
Molecular FormulaC28H26ClNO2
Molecular Weight443.97 g/mol
Exact Mass443.17
IUPAC NameN-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide
SMILESO=C(c1cc2cc(Cl)ccc2o1)N(Cc1ccccc1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C28H26ClNO2/c29-24-13-16-26-23(17-24)18-27(32-26)28(31)30(19-20-7-3-1-4-8-20)25-14-11-22(12-15-25)21-9-5-2-6-10-21/h1,3-4,7-8,11-18,21H,2,5-6,9-10,19H2
InChIKeyRYXMJTCOTHPIAE-UHFFFAOYSA-N
XLogP7.98
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.97
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide (CID 141030230) is N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide is O=C(c1cc2cc(Cl)ccc2o1)N(Cc1ccccc1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is RYXMJTCOTHPIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClNO2/c29-24-13-16-26-23(17-24)18-27(32-26)28(31)30(19-20-7-3-1-4-8-20)25-14-11-22(12-15-25)21-9-5-2-6-10-21/h1,3-4,7-8,11-18,21H,2,5-6,9-10,19H2.
What are the key properties of N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide?
N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 443.97 g/mol, XLogP of 7.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-(4-cyclohexylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 141030230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).