3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide

C16H14Cl2N2O3 — CID 9366541

IUPAC3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c1-9-3-5-10(6-4-9)15(21)19-20-16(22)11-7-12(17)14(23-2)13(18)8-11/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFDTRSMAVVNDAPN-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.39
Rot. Bonds3

About 3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide

3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide (PubChem CID 9366541) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is 3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide.

Molecular Properties

Compound Name3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide
PubChem CID9366541
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Name3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide
SMILESCOc1c(Cl)cc(C(=O)NNC(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c1-9-3-5-10(6-4-9)15(21)19-20-16(22)11-7-12(17)14(23-2)13(18)8-11/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFDTRSMAVVNDAPN-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.39
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

3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
N'-benzoyl-3,5-dichloro-4-methoxybenzohydrazide
CID 51218002
3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 9322281
N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 86907899
3,4,5-trimethoxy-N'-[1-(4-methylphenyl)ethenyl]benzohydrazide
CID 2352026
2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 7979201
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
3,4,5-trimethoxy-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9366092
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
3,5-dichloro-N-[4-(cyclopropylcarbamoyl)phenyl]-4-methoxybenzamide
CID 51300077
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
CID 24645296

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide?
The IUPAC name of 3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide (CID 9366541) is 3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide.
What is the SMILES notation for 3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide?
The canonical SMILES for 3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide is COc1c(Cl)cc(C(=O)NNC(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide?
The InChIKey is FDTRSMAVVNDAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-9-3-5-10(6-4-9)15(21)19-20-16(22)11-7-12(17)14(23-2)13(18)8-11/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide?
3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide has a molecular weight of 353.21 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methoxy-N'-(4-methylbenzoyl)benzohydrazide is sourced from PubChem (CID 9366541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).