3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide

C17H15ClN6O2 — CID 95781242

IUPAC3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide
SMILESC[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN6O2/c1-11(24-22-15(19-23-24)12-6-3-2-4-7-12)16(25)20-21-17(26)13-8-5-9-14(18)10-13/h2-11H,1H3,(H,20,25)(H,21,26)/t11-/m0/s1
InChIKeyAJWHETHSJMKQMU-NSHDSACASA-N
MW370.80 g/mol
LogP2.02
Rot. Bonds4

About 3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide

3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide (PubChem CID 95781242) has the molecular formula C17H15ClN6O2 and a molecular weight of 370.80 g/mol. Its IUPAC name is 3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide
PubChem CID95781242
Molecular FormulaC17H15ClN6O2
Molecular Weight370.80 g/mol
Exact Mass370.09
IUPAC Name3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide
SMILESC[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H15ClN6O2/c1-11(24-22-15(19-23-24)12-6-3-2-4-7-12)16(25)20-21-17(26)13-8-5-9-14(18)10-13/h2-11H,1H3,(H,20,25)(H,21,26)/t11-/m0/s1
InChIKeyAJWHETHSJMKQMU-NSHDSACASA-N
XLogP2.02
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.02
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

N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide
CID 9355609
(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(3,5-dichloro-2-pyridinyl)propanamide
CID 42952316
3-chloro-N'-[(2R)-2-chloropropanoyl]benzohydrazide
CID 25323385
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119588881
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
3-chloro-N'-(2,2-diphenylacetyl)benzohydrazide
CID 1378804
(2S)-N-(3-chlorophenyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]propanamide
CID 9353578
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide (CID 95781242) is 3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide is C[C@@H](C(=O)NNC(=O)c1cccc(Cl)c1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide?
The InChIKey is AJWHETHSJMKQMU-NSHDSACASA-N. The full InChI is InChI=1S/C17H15ClN6O2/c1-11(24-22-15(19-23-24)12-6-3-2-4-7-12)16(25)20-21-17(26)13-8-5-9-14(18)10-13/h2-11H,1H3,(H,20,25)(H,21,26)/t11-/m0/s1.
What are the key properties of 3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide?
3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide has a molecular weight of 370.80 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[(2S)-2-(5-phenyltetrazol-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 95781242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).