2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide

C18H18Cl2N2O4 — CID 26655741

IUPAC2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(Cl)c2Cl)ccc1OC(C)C
InChIInChI=1S/C18H18Cl2N2O4/c1-10(2)26-14-8-7-11(9-15(14)25-3)17(23)21-22-18(24)12-5-4-6-13(19)16(12)20/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyBQFGYWXXZKAURE-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.86
Rot. Bonds5

About 2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide

2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide (PubChem CID 26655741) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
PubChem CID26655741
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(Cl)c2Cl)ccc1OC(C)C
InChIInChI=1S/C18H18Cl2N2O4/c1-10(2)26-14-8-7-11(9-15(14)25-3)17(23)21-22-18(24)12-5-4-6-13(19)16(12)20/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyBQFGYWXXZKAURE-UHFFFAOYSA-N
XLogP3.86
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.86
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'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 46671748
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
2-methoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)pyridine-3-carbohydrazide
CID 55559824
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
N'-[2-[(2-chlorophenyl)methoxy]acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 55789099
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
CID 24645296
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-methoxy-4-propan-2-yloxybenzamide
CID 46804715
N'-(2,2-diphenylacetyl)-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 7972036
3-(2-chloro-6-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 26311764

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
The IUPAC name of 2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide (CID 26655741) is 2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide.
What is the SMILES notation for 2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
The canonical SMILES for 2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide is COc1cc(C(=O)NNC(=O)c2cccc(Cl)c2Cl)ccc1OC(C)C.
What is the InChIKey of 2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
The InChIKey is BQFGYWXXZKAURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-10(2)26-14-8-7-11(9-15(14)25-3)17(23)21-22-18(24)12-5-4-6-13(19)16(12)20/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide has a molecular weight of 397.26 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide is sourced from PubChem (CID 26655741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).