N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide

C18H17ClN6O2 — CID 51246951

IUPACN'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
SMILESCCC(C(=O)NNC(=O)c1ccccc1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN6O2/c1-2-15(18(27)22-21-17(26)13-6-4-3-5-7-13)25-23-16(20-24-25)12-8-10-14(19)11-9-12/h3-11,15H,2H2,1H3,(H,21,26)(H,22,27)
InChIKeyRIOVNYIYZSVNAW-UHFFFAOYSA-N
MW384.83 g/mol
LogP2.41
Rot. Bonds5

About N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide

N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide (PubChem CID 51246951) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
PubChem CID51246951
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC NameN'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
SMILESCCC(C(=O)NNC(=O)c1ccccc1)n1nnc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN6O2/c1-2-15(18(27)22-21-17(26)13-6-4-3-5-7-13)25-23-16(20-24-25)12-8-10-14(19)11-9-12/h3-11,15H,2H2,1H3,(H,21,26)(H,22,27)
InChIKeyRIOVNYIYZSVNAW-UHFFFAOYSA-N
XLogP2.41
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoic acid
CID 119176861
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 134023226
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide
CID 95781242
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-ethoxypropyl)butanamide
CID 51253386
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 16567945
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(4-fluorophenyl)butanamide
CID 55434010
propan-2-yl 3-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoylamino]propanoate
CID 51256542
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,5-dimethylphenyl)butanamide
CID 55433773
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N,N-dipropylbutanamide
CID 134022286
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(sulfamoylmethyl)phenyl]butanamide
CID 24676066
(2S)-2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(2-cyanoethylsulfanyl)phenyl]butanamide
CID 97309347

Frequently Asked Questions

What is the IUPAC name of N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide?
The IUPAC name of N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide (CID 51246951) is N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide.
What is the SMILES notation for N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide?
The canonical SMILES for N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide is CCC(C(=O)NNC(=O)c1ccccc1)n1nnc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide?
The InChIKey is RIOVNYIYZSVNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O2/c1-2-15(18(27)22-21-17(26)13-6-4-3-5-7-13)25-23-16(20-24-25)12-8-10-14(19)11-9-12/h3-11,15H,2H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide?
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide has a molecular weight of 384.83 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide is sourced from PubChem (CID 51246951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).