4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid

C19H20ClNO5 — CID 174527496

IUPAC4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid
SMILESCC(C)(CCNC(=O)c1cc(Cl)ccc1O)c1ccc(C(=O)OO)cc1
InChIInChI=1S/C19H20ClNO5/c1-19(2,13-5-3-12(4-6-13)18(24)26-25)9-10-21-17(23)15-11-14(20)7-8-16(15)22/h3-8,11,22,25H,9-10H2,1-2H3,(H,21,23)
InChIKeyQXTGDZHNPROZNM-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.77
Rot. Bonds6

About 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid

4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid (PubChem CID 174527496) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid.

Molecular Properties

Compound Name4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid
PubChem CID174527496
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid
SMILESCC(C)(CCNC(=O)c1cc(Cl)ccc1O)c1ccc(C(=O)OO)cc1
InChIInChI=1S/C19H20ClNO5/c1-19(2,13-5-3-12(4-6-13)18(24)26-25)9-10-21-17(23)15-11-14(20)7-8-16(15)22/h3-8,11,22,25H,9-10H2,1-2H3,(H,21,23)
InChIKeyQXTGDZHNPROZNM-UHFFFAOYSA-N
XLogP3.77
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[2-(4-fluorophenyl)propan-2-yl]-2-hydroxybenzamide
CID 155523213
2-amino-5-chloro-N-(3,3-dimethylbutyl)benzamide
CID 115597357
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
5-chloro-N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613546
2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
CID 15858288
5-chloro-2-hydroxy-N-(2-methylprop-2-enyl)benzamide
CID 114617404
5-chloro-2-hydroxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 113245885
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491
N-(3,3-dimethylbutyl)-4-fluoro-2-hydroxybenzamide
CID 113304540
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid?
The IUPAC name of 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid (CID 174527496) is 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid.
What is the SMILES notation for 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid?
The canonical SMILES for 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid is CC(C)(CCNC(=O)c1cc(Cl)ccc1O)c1ccc(C(=O)OO)cc1.
What is the InChIKey of 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid?
The InChIKey is QXTGDZHNPROZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-19(2,13-5-3-12(4-6-13)18(24)26-25)9-10-21-17(23)15-11-14(20)7-8-16(15)22/h3-8,11,22,25H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid?
4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid has a molecular weight of 377.82 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbutan-2-yl]benzenecarboperoxoic acid is sourced from PubChem (CID 174527496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).