4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide

C33H33ClN2O2 — CID 174517932

IUPAC4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide
SMILESCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C3CCCCC3)cc2)c1)c1ccncc1
InChIInChI=1S/C33H33ClN2O2/c1-2-36(30-18-20-35-21-19-30)33(37)27-12-17-32(26-8-13-29(34)14-9-26)28(22-27)23-38-31-15-10-25(11-16-31)24-6-4-3-5-7-24/h8-22,24H,2-7,23H2,1H3
InChIKeyPPIRVERFJNOMDC-UHFFFAOYSA-N
MW525.09 g/mol
LogP8.70
Rot. Bonds8

About 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide

4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide (PubChem CID 174517932) has the molecular formula C33H33ClN2O2 and a molecular weight of 525.09 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide
PubChem CID174517932
Molecular FormulaC33H33ClN2O2
Molecular Weight525.09 g/mol
Exact Mass524.22
IUPAC Name4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide
SMILESCCN(C(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C3CCCCC3)cc2)c1)c1ccncc1
InChIInChI=1S/C33H33ClN2O2/c1-2-36(30-18-20-35-21-19-30)33(37)27-12-17-32(26-8-13-29(34)14-9-26)28(22-27)23-38-31-15-10-25(11-16-31)24-6-4-3-5-7-24/h8-22,24H,2-7,23H2,1H3
InChIKeyPPIRVERFJNOMDC-UHFFFAOYSA-N
XLogP8.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.09
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-methylbenzamide
CID 174503777
4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 174503750
2-[4-[[2-(4-chlorophenyl)-5-(dimethylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 11845101
ethyl 4-[[2-(4-cyclohexylphenoxy)acetyl]-[(2,4-dichlorophenyl)methyl]amino]benzoate
CID 21168985
ethyl (E)-3-[1-[4-[[2-(4-chlorophenyl)-5-(methylcarbamoyl)phenyl]methoxy]phenyl]-5-cyclohexylpyrazol-3-yl]-2-methylprop-2-enoate
CID 11284961
2-[4-[[2-(4-chlorophenyl)-5-(diethylcarbamoyl)phenyl]methoxy]-2-fluorophenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;hydrochloride
CID 69471361
2-chloro-N-ethyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 113236093
N-(3-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-propan-2-ylbenzamide
CID 174503718
2-[4-[[2-(4-chlorophenyl)-5-(2-pyridin-4-ylethylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;dihydrochloride
CID 69471953
2-[4-[[2-(4-chlorophenyl)-5-methylphenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;formamide
CID 142962536
N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide
CID 103957153
methyl 2-[4-[[2-(4-chlorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylate
CID 10122322

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide (CID 174517932) is 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide is CCN(C(=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C3CCCCC3)cc2)c1)c1ccncc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide?
The InChIKey is PPIRVERFJNOMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClN2O2/c1-2-36(30-18-20-35-21-19-30)33(37)27-12-17-32(26-8-13-29(34)14-9-26)28(22-27)23-38-31-15-10-25(11-16-31)24-6-4-3-5-7-24/h8-22,24H,2-7,23H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide?
4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide has a molecular weight of 525.09 g/mol, XLogP of 8.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-ethyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 174517932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).