N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide

C17H15Cl2N5O — CID 112775878

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O/c18-14-7-6-12(15(19)10-14)8-9-20-16(25)11-24-22-17(21-23-24)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,20,25)
InChIKeyHNWUFVQELSSJQV-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 112775878) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID112775878
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2N5O/c18-14-7-6-12(15(19)10-14)8-9-20-16(25)11-24-22-17(21-23-24)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,20,25)
InChIKeyHNWUFVQELSSJQV-UHFFFAOYSA-N
XLogP3.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 26245507
N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 17478597
N-[2-(4-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 2529123
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508170
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
2-(5-phenyltetrazol-2-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 2491710
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 43033026
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4775242
4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutanoic acid
CID 9151806

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide (CID 112775878) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2ccccc2)n1)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is HNWUFVQELSSJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c18-14-7-6-12(15(19)10-14)8-9-20-16(25)11-24-22-17(21-23-24)13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H,20,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 376.25 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 112775878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).