N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide

C18H19ClN2O4 — CID 26621830

IUPACN'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-3-9-25-15-8-7-13(11-16(15)24-2)18(23)21-20-17(22)12-5-4-6-14(19)10-12/h4-8,10-11H,3,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDQPMQBAQELGBCK-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.21
Rot. Bonds6

About N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide

N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide (PubChem CID 26621830) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
PubChem CID26621830
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-3-9-25-15-8-7-13(11-16(15)24-2)18(23)21-20-17(22)12-5-4-6-14(19)10-12/h4-8,10-11H,3,9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyDQPMQBAQELGBCK-UHFFFAOYSA-N
XLogP3.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.21
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'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
N'-(3-cyanobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440251
4-ethoxy-3-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 46490811
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
N'-(4-butoxybenzoyl)-3-chlorobenzohydrazide
CID 9475751
4-chloro-2-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 55792202
N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621941
3-[[(3-methoxy-4-propoxybenzoyl)amino]carbamoyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 26621722

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide (CID 26621830) is N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The InChIKey is DQPMQBAQELGBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-3-9-25-15-8-7-13(11-16(15)24-2)18(23)21-20-17(22)12-5-4-6-14(19)10-12/h4-8,10-11H,3,9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide has a molecular weight of 362.81 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide is sourced from PubChem (CID 26621830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).