N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide

C29H26N2O3 — CID 22010705

IUPACN-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3cc(C)ccc3O)cc2)cc1
InChIInChI=1S/C29H26N2O3/c1-19-8-11-21(12-9-19)24-6-4-5-7-25(24)28(33)30-23-15-13-22(14-16-23)29(34)31(3)26-18-20(2)10-17-27(26)32/h4-18,32H,1-3H3,(H,30,33)
InChIKeyGHRRJBOHFNRZHP-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.20
Rot. Bonds5

About N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide

N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide (PubChem CID 22010705) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
PubChem CID22010705
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC NameN-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3cc(C)ccc3O)cc2)cc1
InChIInChI=1S/C29H26N2O3/c1-19-8-11-21(12-9-19)24-6-4-5-7-25(24)28(33)30-23-15-13-22(14-16-23)29(34)31(3)26-18-20(2)10-17-27(26)32/h4-18,32H,1-3H3,(H,30,33)
InChIKeyGHRRJBOHFNRZHP-UHFFFAOYSA-N
XLogP6.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 22010622
N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22011026
6-[2-[methyl-[4-[[2-(4-methylphenyl)benzoyl]amino]benzoyl]amino]phenyl]sulfanylhexanoic acid
CID 22010752
N-[2-[(2-hydroxyphenyl)-methylcarbamoyl]phenyl]-5-methyl-2-phenylbenzamide
CID 67698934
N-[4-[methyl-[2-[5-(4-methylpiperazin-1-yl)pentoxy]phenyl]carbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 22011000
N-[4-[methyl-[2-[[5-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methoxy]phenyl]carbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 22010902
N-[4-(ethylamino)phenyl]-2-(4-methylphenyl)benzamide
CID 141052756
2-chloro-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]-N-phenylbenzamide
CID 22010862
5-methyl-2-(4-methylphenyl)-N-phenylbenzamide
CID 173213744
6-[2-[methyl-[4-[(2-phenylbenzoyl)amino]benzoyl]amino]phenoxy]hexanoic acid
CID 22010932
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
6-[[2-[methyl-[4-[[2-(4-nitrophenyl)benzoyl]amino]benzoyl]amino]phenoxy]methyl]pyridine-3-carboxylic acid
CID 22010831

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide?
The IUPAC name of N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide (CID 22010705) is N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide?
The canonical SMILES for N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide is Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3cc(C)ccc3O)cc2)cc1.
What is the InChIKey of N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide?
The InChIKey is GHRRJBOHFNRZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-19-8-11-21(12-9-19)24-6-4-5-7-25(24)28(33)30-23-15-13-22(14-16-23)29(34)31(3)26-18-20(2)10-17-27(26)32/h4-18,32H,1-3H3,(H,30,33).
What are the key properties of N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide?
N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide has a molecular weight of 450.54 g/mol, XLogP of 6.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide is sourced from PubChem (CID 22010705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).