2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide

C18H18Cl2N2O3 — CID 4945586

IUPAC2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide
SMILESCC(C)COc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-11(2)10-25-16-6-4-3-5-14(16)18(24)22-21-17(23)13-8-7-12(19)9-15(13)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAFIPAXDDPBRHNB-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.10
Rot. Bonds5

About 2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide

2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide (PubChem CID 4945586) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide
PubChem CID4945586
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide
SMILESCC(C)COc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c1-11(2)10-25-16-6-4-3-5-14(16)18(24)22-21-17(23)13-8-7-12(19)9-15(13)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAFIPAXDDPBRHNB-UHFFFAOYSA-N
XLogP4.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.10
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-chloro-3-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945545
2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079524
5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide
CID 102166261
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
2-chloro-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930070
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
N'-[2-(4-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945628
N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
CID 17357941
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 26166788

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide?
The IUPAC name of 2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide (CID 4945586) is 2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide is CC(C)COc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide?
The InChIKey is AFIPAXDDPBRHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-11(2)10-25-16-6-4-3-5-14(16)18(24)22-21-17(23)13-8-7-12(19)9-15(13)20/h3-9,11H,10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide?
2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide has a molecular weight of 381.26 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4945586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).