N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide

C34H34ClNO2 — CID 174503777

IUPACN-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C34H34ClNO2/c1-36(23-25-8-4-2-5-9-25)34(37)29-16-21-33(28-12-17-31(35)18-13-28)30(22-29)24-38-32-19-14-27(15-20-32)26-10-6-3-7-11-26/h2,4-5,8-9,12-22,26H,3,6-7,10-11,23-24H2,1H3
InChIKeyGUHCCIUFOARSAF-UHFFFAOYSA-N
MW524.10 g/mol
LogP8.91
Rot. Bonds8

About N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide

N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide (PubChem CID 174503777) has the molecular formula C34H34ClNO2 and a molecular weight of 524.10 g/mol. Its IUPAC name is N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide
PubChem CID174503777
Molecular FormulaC34H34ClNO2
Molecular Weight524.10 g/mol
Exact Mass523.23
IUPAC NameN-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C34H34ClNO2/c1-36(23-25-8-4-2-5-9-25)34(37)29-16-21-33(28-12-17-31(35)18-13-28)30(22-29)24-38-32-19-14-27(15-20-32)26-10-6-3-7-11-26/h2,4-5,8-9,12-22,26H,3,6-7,10-11,23-24H2,1H3
InChIKeyGUHCCIUFOARSAF-UHFFFAOYSA-N
XLogP8.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.10
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide?
The IUPAC name of N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide (CID 174503777) is N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide?
The canonical SMILES for N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide?
The InChIKey is GUHCCIUFOARSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34ClNO2/c1-36(23-25-8-4-2-5-9-25)34(37)29-16-21-33(28-12-17-31(35)18-13-28)30(22-29)24-38-32-19-14-27(15-20-32)26-10-6-3-7-11-26/h2,4-5,8-9,12-22,26H,3,6-7,10-11,23-24H2,1H3.
What are the key properties of N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide?
N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide has a molecular weight of 524.10 g/mol, XLogP of 8.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide is sourced from PubChem (CID 174503777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).