N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide

C19H19ClN6O4 — CID 1166666

IUPACN'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCn2nnc(-c3ccc(Cl)cc3)n2)cc1OC
InChIInChI=1S/C19H19ClN6O4/c1-29-15-8-5-13(11-16(15)30-2)19(28)23-21-17(27)9-10-26-24-18(22-25-26)12-3-6-14(20)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,27)(H,23,28)
InChIKeyQVJIBAGWHWZMRI-UHFFFAOYSA-N
MW430.85 g/mol
LogP1.86
Rot. Bonds7

About N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide

N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide (PubChem CID 1166666) has the molecular formula C19H19ClN6O4 and a molecular weight of 430.85 g/mol. Its IUPAC name is N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide
PubChem CID1166666
Molecular FormulaC19H19ClN6O4
Molecular Weight430.85 g/mol
Exact Mass430.12
IUPAC NameN'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CCn2nnc(-c3ccc(Cl)cc3)n2)cc1OC
InChIInChI=1S/C19H19ClN6O4/c1-29-15-8-5-13(11-16(15)30-2)19(28)23-21-17(27)9-10-26-24-18(22-25-26)12-3-6-14(20)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,27)(H,23,28)
InChIKeyQVJIBAGWHWZMRI-UHFFFAOYSA-N
XLogP1.86
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide (CID 1166666) is N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)CCn2nnc(-c3ccc(Cl)cc3)n2)cc1OC.
What is the InChIKey of N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is QVJIBAGWHWZMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O4/c1-29-15-8-5-13(11-16(15)30-2)19(28)23-21-17(27)9-10-26-24-18(22-25-26)12-3-6-14(20)7-4-12/h3-8,11H,9-10H2,1-2H3,(H,21,27)(H,23,28).
What are the key properties of N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide?
N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 430.85 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[5-(4-chlorophenyl)tetrazol-2-yl]propanoyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 1166666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).