N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide

C18H19ClN2O3 — CID 4812516

IUPACN'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12-4-6-13(7-5-12)16(22)20-21-17(23)18(2,3)24-15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyAXKVXOKEOTXHCK-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.27
Rot. Bonds4

About N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide

N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide (PubChem CID 4812516) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide
PubChem CID4812516
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12-4-6-13(7-5-12)16(22)20-21-17(23)18(2,3)24-15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyAXKVXOKEOTXHCK-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoyl]-2-hydroxybenzohydrazide
CID 154646166
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
CID 2679907
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
2-methyl-2-[4-[(4-methylbenzoyl)amino]phenoxy]propanoic acid
CID 118097919
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
N-(2-aminoethyl)-2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanamide
CID 58219036
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-hydroxyethyl)-2-methylpropanamide
CID 154646221
2-(4-tert-butylphenoxy)-2-methyl-N-(4-methylphenyl)propanamide
CID 17314078
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide (CID 4812516) is N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide?
The InChIKey is AXKVXOKEOTXHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-4-6-13(7-5-12)16(22)20-21-17(23)18(2,3)24-15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide?
N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide has a molecular weight of 346.81 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 4812516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).