N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide

C17H15Cl2N5O — CID 17478597

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2N5O/c18-14-6-4-13(5-7-14)17-21-23-24(22-17)11-16(25)20-9-8-12-2-1-3-15(19)10-12/h1-7,10H,8-9,11H2,(H,20,25)
InChIKeyKMQIMRUKZIEGBQ-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide

N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide (PubChem CID 17478597) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
PubChem CID17478597
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
SMILESO=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCCc1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2N5O/c18-14-6-4-13(5-7-14)17-21-23-24(22-17)11-16(25)20-9-8-12-2-1-3-15(19)10-12/h1-7,10H,8-9,11H2,(H,20,25)
InChIKeyKMQIMRUKZIEGBQ-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-(4-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 2529123
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 112775878
2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)acetamide
CID 1463687
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2529149
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide
CID 8850893
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 78834489
N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-chlorophenyl)ethylamino]acetamide
CID 109002830
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399790
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 26245507
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]acetamide
CID 112812249

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide (CID 17478597) is N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide is O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide?
The InChIKey is KMQIMRUKZIEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c18-14-6-4-13(5-7-14)17-21-23-24(22-17)11-16(25)20-9-8-12-2-1-3-15(19)10-12/h1-7,10H,8-9,11H2,(H,20,25).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-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-(3-chlorophenyl)ethyl]-2-[5-(4-chlorophenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 17478597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).