N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide

C28H25NO2 — CID 86100829

IUPACN-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccccc3)c(-c3ccc(C)cc3)cc2C)cc1
InChIInChI=1S/C28H25NO2/c1-19-9-11-22(12-10-19)26-17-20(2)25(21-13-15-24(31-3)16-14-21)18-27(26)29-28(30)23-7-5-4-6-8-23/h4-18H,1-3H3,(H,29,30)
InChIKeyWKMZMDGFDLMZDV-UHFFFAOYSA-N
MW407.51 g/mol
LogP6.90
Rot. Bonds5

About N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide

N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide (PubChem CID 86100829) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide
PubChem CID86100829
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC NameN-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccccc3)c(-c3ccc(C)cc3)cc2C)cc1
InChIInChI=1S/C28H25NO2/c1-19-9-11-22(12-10-19)26-17-20(2)25(21-13-15-24(31-3)16-14-21)18-27(26)29-28(30)23-7-5-4-6-8-23/h4-18H,1-3H3,(H,29,30)
InChIKeyWKMZMDGFDLMZDV-UHFFFAOYSA-N
XLogP6.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-N-(1-naphthyl)benzamide
CID 303390
2-Naphthalenecarboxamide, N-(2-ethoxyphenyl)-
CID 78442
Benzamide, N-(1-naphthyl)-3-methoxy-
CID 531845
1-methoxy-N-(4-methoxyphenyl)-2-naphthamide
CID 684458
3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
CID 56965231
5-Amino-3-(4-Methoxyphenyl)isoquinolin-1(2h)-One
CID 71769170
2-[3-[4-(4-Methoxyphenyl)phenyl]propanoylamino]benzoic acid
CID 11617732
3-methyl-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-quinolin-4-one
CID 67609434
4-methoxy-N-naphthalen-2-ylbenzamide
CID 224146
3-methoxy-N-(4-methylphenyl)-2-naphthamide
CID 790572
N-(4-methoxyphenyl)naphthalene-2-carboxamide
CID 826829
N-(4-benzoylphenyl)-3-methoxybenzamide
CID 837710

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide (CID 86100829) is N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide is COc1ccc(-c2cc(NC(=O)c3ccccc3)c(-c3ccc(C)cc3)cc2C)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide?
The InChIKey is WKMZMDGFDLMZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c1-19-9-11-22(12-10-19)26-17-20(2)25(21-13-15-24(31-3)16-14-21)18-27(26)29-28(30)23-7-5-4-6-8-23/h4-18H,1-3H3,(H,29,30).
What are the key properties of N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide?
N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide has a molecular weight of 407.51 g/mol, XLogP of 6.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-4-methyl-2-(4-methylphenyl)phenyl]benzamide is sourced from PubChem (CID 86100829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).