N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide

C22H20N2O3 — CID 87916007

IUPACN-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3ccc(C(=O)NO)cc3)c2)c1C
InChIInChI=1S/C22H20N2O3/c1-14-5-3-8-20(15(14)2)22(26)23-19-7-4-6-18(13-19)16-9-11-17(12-10-16)21(25)24-27/h3-13,27H,1-2H3,(H,23,26)(H,24,25)
InChIKeyAIVWRDWESWQUGY-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.34
Rot. Bonds4

About N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide

N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide (PubChem CID 87916007) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide
PubChem CID87916007
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(-c3ccc(C(=O)NO)cc3)c2)c1C
InChIInChI=1S/C22H20N2O3/c1-14-5-3-8-20(15(14)2)22(26)23-19-7-4-6-18(13-19)16-9-11-17(12-10-16)21(25)24-27/h3-13,27H,1-2H3,(H,23,26)(H,24,25)
InChIKeyAIVWRDWESWQUGY-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide
CID 87915967
4-[3-[(4-fluorobenzoyl)amino]phenyl]-N-hydroxybenzamide
CID 10308934
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
N-(3-aminophenyl)-2,3-dimethylbenzamide
CID 16789314
N-(3,4-dimethylphenyl)-2,3-dimethylbenzamide
CID 26593883
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 10126715
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
N-[3-(2,3-dimethylbenzoyl)phenyl]-2-methylbenzamide
CID 846043
2,3-dimethyl-N-pyridin-4-ylbenzamide
CID 27700072
2,3-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507775
4-(3,5-dibenzamidophenyl)-N-hydroxybenzamide
CID 10238468
(3-phenylphenyl)carbamic acid
CID 611602

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide (CID 87916007) is N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)Nc2cccc(-c3ccc(C(=O)NO)cc3)c2)c1C.
What is the InChIKey of N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide?
The InChIKey is AIVWRDWESWQUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-5-3-8-20(15(14)2)22(26)23-19-7-4-6-18(13-19)16-9-11-17(12-10-16)21(25)24-27/h3-13,27H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide?
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide has a molecular weight of 360.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,3-dimethylbenzamide is sourced from PubChem (CID 87916007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).