N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide

C19H20Cl2N2O4 — CID 49317060

IUPACN'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C19H20Cl2N2O4/c1-19(2,12-6-7-13(20)14(21)10-12)18(25)23-22-17(24)11-5-8-15(26-3)16(9-11)27-4/h5-10H,1-4H3,(H,22,24)(H,23,25)
InChIKeyONYOOWJIJIKENI-UHFFFAOYSA-N
MW411.29 g/mol
LogP3.75
Rot. Bonds5

About N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide

N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide (PubChem CID 49317060) has the molecular formula C19H20Cl2N2O4 and a molecular weight of 411.29 g/mol. Its IUPAC name is N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide
PubChem CID49317060
Molecular FormulaC19H20Cl2N2O4
Molecular Weight411.29 g/mol
Exact Mass410.08
IUPAC NameN'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C19H20Cl2N2O4/c1-19(2,12-6-7-13(20)14(21)10-12)18(25)23-22-17(24)11-5-8-15(26-3)16(9-11)27-4/h5-10H,1-4H3,(H,22,24)(H,23,25)
InChIKeyONYOOWJIJIKENI-UHFFFAOYSA-N
XLogP3.75
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2-dimethylpropanoyl)-3,4-dimethoxybenzohydrazide
CID 873947
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
N'-(3,4-dimethoxybenzoyl)-2,6-dimethoxybenzohydrazide
CID 1210380
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110438694
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 55321283
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
CID 24645296
N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934045
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
N'-(3,5-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 24645355

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide (CID 49317060) is N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is ONYOOWJIJIKENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4/c1-19(2,12-6-7-13(20)14(21)10-12)18(25)23-22-17(24)11-5-8-15(26-3)16(9-11)27-4/h5-10H,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide?
N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 411.29 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dichlorophenyl)-2-methylpropanoyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 49317060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).