N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide

C24H21ClN2O5 — CID 154646166

IUPACN'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C24H21ClN2O5/c1-24(2,23(31)27-26-22(30)19-5-3-4-6-20(19)28)32-18-13-9-16(10-14-18)21(29)15-7-11-17(25)12-8-15/h3-14,28H,1-2H3,(H,26,30)(H,27,31)
InChIKeyIYSIAWRHSYHWNQ-UHFFFAOYSA-N
MW452.89 g/mol
LogP3.90
Rot. Bonds6

About N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide

N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide (PubChem CID 154646166) has the molecular formula C24H21ClN2O5 and a molecular weight of 452.89 g/mol. Its IUPAC name is N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide
PubChem CID154646166
Molecular FormulaC24H21ClN2O5
Molecular Weight452.89 g/mol
Exact Mass452.11
IUPAC NameN'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide
SMILESCC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C24H21ClN2O5/c1-24(2,23(31)27-26-22(30)19-5-3-4-6-20(19)28)32-18-13-9-16(10-14-18)21(29)15-7-11-17(25)12-8-15/h3-14,28H,1-2H3,(H,26,30)(H,27,31)
InChIKeyIYSIAWRHSYHWNQ-UHFFFAOYSA-N
XLogP3.90
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.89
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide
CID 4812516
2-[4-(4-chlorobenzoyl)phenoxy]-N-(5-chloro-2-hydroxyphenyl)-2-methylpropanamide
CID 154646082
2-[4-(4-chlorobenzoyl)phenoxy]-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 71499301
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
CID 888208
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-hydroxyethyl)-2-methylpropanamide
CID 154646221
tert-butyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
CID 21299693
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
2-acetamido-2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]amino]acetic acid
CID 88710478
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
CID 2679907
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide (CID 154646166) is N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide is CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)NNC(=O)c1ccccc1O.
What is the InChIKey of N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide?
The InChIKey is IYSIAWRHSYHWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5/c1-24(2,23(31)27-26-22(30)19-5-3-4-6-20(19)28)32-18-13-9-16(10-14-18)21(29)15-7-11-17(25)12-8-15/h3-14,28H,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide?
N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide has a molecular weight of 452.89 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 154646166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).