N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide

C20H23ClN2O3 — CID 17046478

IUPACN'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13(26-17-11-7-15(8-12-17)20(2,3)4)18(24)22-23-19(25)14-5-9-16(21)10-6-14/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyQKXMNRPKLFMMCM-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.87
Rot. Bonds4

About N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide

N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide (PubChem CID 17046478) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
PubChem CID17046478
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13(26-17-11-7-15(8-12-17)20(2,3)4)18(24)22-23-19(25)14-5-9-16(21)10-6-14/h5-13H,1-4H3,(H,22,24)(H,23,25)
InChIKeyQKXMNRPKLFMMCM-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.87
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

4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
1-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]-3-(4-chlorophenyl)thiourea
CID 8635561
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 17046488
N'-[2-(4-chlorophenoxy)propanoyl]-3-iodo-4-methoxybenzohydrazide
CID 4944161
4-methyl-N'-[2-(4-propan-2-ylphenoxy)propanoyl]benzohydrazide
CID 4953821
N'-[2-(4-tert-butylphenoxy)propanoyl]-2-methylbenzohydrazide
CID 17046473
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 94016671
N'-[(2S)-2-(4-tert-butylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 8573555
1-[2-(4-tert-butylphenoxy)propanoylamino]-3-methylthiourea
CID 4502854
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
N'-[2-(4-tert-butylphenoxy)propanoyl]-3-methylbutanehydrazide
CID 46423863

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide (CID 17046478) is N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide?
The InChIKey is QKXMNRPKLFMMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13(26-17-11-7-15(8-12-17)20(2,3)4)18(24)22-23-19(25)14-5-9-16(21)10-6-14/h5-13H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide?
N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide has a molecular weight of 374.87 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-tert-butylphenoxy)propanoyl]-4-chlorobenzohydrazide is sourced from PubChem (CID 17046478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).