3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide

C18H18Cl2N2O4 — CID 35930780

IUPAC3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C18H18Cl2N2O4/c1-3-8-26-16-14(20)9-11(10-15(16)25-2)17(23)21-22-18(24)12-6-4-5-7-13(12)19/h4-7,9-10H,3,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCNUVJBJIMLPUSO-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.87
Rot. Bonds6

About 3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide

3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide (PubChem CID 35930780) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is 3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
PubChem CID35930780
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccccc2Cl)cc1OC
InChIInChI=1S/C18H18Cl2N2O4/c1-3-8-26-16-14(20)9-11(10-15(16)25-2)17(23)21-22-18(24)12-6-4-5-7-13(12)19/h4-7,9-10H,3,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCNUVJBJIMLPUSO-UHFFFAOYSA-N
XLogP3.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.87
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'-(3-chloro-5-methoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 26855910
N'-(2-chlorobenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
CID 35930751
N'-(3-chloro-5-methoxy-4-propoxybenzoyl)-5-(phenoxymethyl)furan-2-carbohydrazide
CID 26746199
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 124506712
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 42486896
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
3-[(3-chloro-5-methoxy-4-propoxybenzoyl)amino]-3-phenylpropanoic acid
CID 45461561
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191
4-butoxy-3-chloro-N-[(2-chlorophenyl)methyl]-5-methoxybenzamide
CID 7973201

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide?
The IUPAC name of 3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide (CID 35930780) is 3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide.
What is the SMILES notation for 3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide?
The canonical SMILES for 3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide is CCCOc1c(Cl)cc(C(=O)NNC(=O)c2ccccc2Cl)cc1OC.
What is the InChIKey of 3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide?
The InChIKey is CNUVJBJIMLPUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-3-8-26-16-14(20)9-11(10-15(16)25-2)17(23)21-22-18(24)12-6-4-5-7-13(12)19/h4-7,9-10H,3,8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide?
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide has a molecular weight of 397.26 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide is sourced from PubChem (CID 35930780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).