N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide

C22H20N2O3 — CID 87915967

IUPACN-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cccc(-c3ccc(C(=O)NO)cc3)c2)c1
InChIInChI=1S/C22H20N2O3/c1-14-6-7-15(2)20(12-14)22(26)23-19-5-3-4-18(13-19)16-8-10-17(11-9-16)21(25)24-27/h3-13,27H,1-2H3,(H,23,26)(H,24,25)
InChIKeyNUIAUZDKYNNORN-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.34
Rot. Bonds4

About N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide

N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide (PubChem CID 87915967) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide
PubChem CID87915967
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cccc(-c3ccc(C(=O)NO)cc3)c2)c1
InChIInChI=1S/C22H20N2O3/c1-14-6-7-15(2)20(12-14)22(26)23-19-5-3-4-18(13-19)16-8-10-17(11-9-16)21(25)24-27/h3-13,27H,1-2H3,(H,23,26)(H,24,25)
InChIKeyNUIAUZDKYNNORN-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]-2,3-dimethylbenzamide
CID 87916007
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
N-(3-carbamoylphenyl)-2,5-dimethylbenzamide
CID 17394434
4-[3-[(4-fluorobenzoyl)amino]phenyl]-N-hydroxybenzamide
CID 10308934
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
3-[[3-(4-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 143217956
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-3-(trifluoromethyl)benzamide
CID 10126715
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
2-methyl-N-[4-[(4-phenylbenzoyl)amino]phenyl]benzamide
CID 17251498
4-(3,5-dibenzamidophenyl)-N-hydroxybenzamide
CID 10238468

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide (CID 87915967) is N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2cccc(-c3ccc(C(=O)NO)cc3)c2)c1.
What is the InChIKey of N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide?
The InChIKey is NUIAUZDKYNNORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-6-7-15(2)20(12-14)22(26)23-19-5-3-4-18(13-19)16-8-10-17(11-9-16)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]-2,5-dimethylbenzamide?
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-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]-2,5-dimethylbenzamide is sourced from PubChem (CID 87915967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).