N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide

C22H20N2O3 — CID 154278124

IUPACN-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(O)c(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C22H20N2O3/c1-14-7-3-5-9-17(14)21(26)23-16-11-12-20(25)19(13-16)24-22(27)18-10-6-4-8-15(18)2/h3-13,25H,1-2H3,(H,23,26)(H,24,27)
InChIKeyBIZWQFAZJDSDKB-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.51
Rot. Bonds4

About N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide

N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide (PubChem CID 154278124) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide
PubChem CID154278124
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(O)c(NC(=O)c2ccccc2C)c1
InChIInChI=1S/C22H20N2O3/c1-14-7-3-5-9-17(14)21(26)23-16-11-12-20(25)19(13-16)24-22(27)18-10-6-4-8-15(18)2/h3-13,25H,1-2H3,(H,23,26)(H,24,27)
InChIKeyBIZWQFAZJDSDKB-UHFFFAOYSA-N
XLogP4.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide (CID 154278124) is N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(O)c(NC(=O)c2ccccc2C)c1.
What is the InChIKey of N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide?
The InChIKey is BIZWQFAZJDSDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-7-3-5-9-17(14)21(26)23-16-11-12-20(25)19(13-16)24-22(27)18-10-6-4-8-15(18)2/h3-13,25H,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide?
N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide has a molecular weight of 360.41 g/mol, XLogP of 4.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide is sourced from PubChem (CID 154278124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).