2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide

C15H10Cl3N5O — CID 2491710

IUPAC2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3N5O/c16-10-6-12(18)13(7-11(10)17)19-14(24)8-23-21-15(20-22-23)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,24)
InChIKeyLRCVIICLPHONFR-UHFFFAOYSA-N
MW382.64 g/mol
LogP3.94
Rot. Bonds4

About 2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide

2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 2491710) has the molecular formula C15H10Cl3N5O and a molecular weight of 382.64 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID2491710
Molecular FormulaC15H10Cl3N5O
Molecular Weight382.64 g/mol
Exact Mass381.00
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3N5O/c16-10-6-12(18)13(7-11(10)17)19-14(24)8-23-21-15(20-22-23)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,24)
InChIKeyLRCVIICLPHONFR-UHFFFAOYSA-N
XLogP3.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.64
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 17014887
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508170
2-(5-phenyltetrazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16508183
N-(4-bromo-2-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634164
N-(2-phenylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 3738322
N-(3,4-dimethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16561616
N-(3-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 856053
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
N-(3,5-dimethoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508187
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 112775878
N-(4-tert-butylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508157

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide (CID 2491710) is 2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is LRCVIICLPHONFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3N5O/c16-10-6-12(18)13(7-11(10)17)19-14(24)8-23-21-15(20-22-23)9-4-2-1-3-5-9/h1-7H,8H2,(H,19,24).
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide?
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 382.64 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 2491710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).