4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide

C32H31ClN2O2 — CID 174503750

IUPAC4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C32H31ClN2O2/c33-28-14-9-25(10-15-28)31-18-13-26(32(36)35-21-29-8-4-5-19-34-29)20-27(31)22-37-30-16-11-24(12-17-30)23-6-2-1-3-7-23/h4-5,8-20,23H,1-3,6-7,21-22H2,(H,35,36)
InChIKeyJHJNJHNTJOBOGL-UHFFFAOYSA-N
MW511.07 g/mol
LogP7.96
Rot. Bonds8

About 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide

4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 174503750) has the molecular formula C32H31ClN2O2 and a molecular weight of 511.07 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID174503750
Molecular FormulaC32H31ClN2O2
Molecular Weight511.07 g/mol
Exact Mass510.21
IUPAC Name4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C32H31ClN2O2/c33-28-14-9-25(10-15-28)31-18-13-26(32(36)35-21-29-8-4-5-19-34-29)20-27(31)22-37-30-16-11-24(12-17-30)23-6-2-1-3-7-23/h4-5,8-20,23H,1-3,6-7,21-22H2,(H,35,36)
InChIKeyJHJNJHNTJOBOGL-UHFFFAOYSA-N
XLogP7.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.07
LogP ≤ 57.96
H-Bond Donors ≤ 51
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-ethyl-N-pyridin-4-ylbenzamide
CID 174517932
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46109251
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-(2-pyridin-4-ylethylcarbamoyl)phenyl]methoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid;dihydrochloride
CID 69471953
3-[[4-(2-cyclohexylphenyl)-3-fluorophenoxy]methyl]-4-(3,4-difluorophenyl)-N-propan-2-ylbenzamide
CID 141116067
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
2-(phenoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 24512524
4-(4-chlorophenyl)-3-[[4-(1-cyclohexylbenzimidazol-2-yl)-3-fluorophenoxy]methyl]benzamide
CID 141060824
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 24856919
5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 21109622

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 174503750) is 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is JHJNJHNTJOBOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31ClN2O2/c33-28-14-9-25(10-15-28)31-18-13-26(32(36)35-21-29-8-4-5-19-34-29)20-27(31)22-37-30-16-11-24(12-17-30)23-6-2-1-3-7-23/h4-5,8-20,23H,1-3,6-7,21-22H2,(H,35,36).
What are the key properties of 4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide?
4-(4-chlorophenyl)-3-[(4-cyclohexylphenoxy)methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 511.07 g/mol, XLogP of 7.96, 8 rotatable bonds, 1 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-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 174503750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).