N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide

C9H7Cl2N5O — CID 2565140

IUPACN-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl2N5O/c10-7-2-1-6(3-8(7)11)13-9(17)4-16-5-12-14-15-16/h1-3,5H,4H2,(H,13,17)
InChIKeyMOGHBXJHESUMIZ-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.62
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide

N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 2565140) has the molecular formula C9H7Cl2N5O and a molecular weight of 272.10 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID2565140
Molecular FormulaC9H7Cl2N5O
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC NameN-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl2N5O/c10-7-2-1-6(3-8(7)11)13-9(17)4-16-5-12-14-15-16/h1-3,5H,4H2,(H,13,17)
InChIKeyMOGHBXJHESUMIZ-UHFFFAOYSA-N
XLogP1.62
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dichlorophenyl)-3-(4H-1,2,4-triazol-4-yl)urea
CID 816658
N-(3,4-dichlorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511453
N-(3,4-dichlorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
CID 757113
1-[4-(3,4-Dichlorophenyl)piperazin-1-yl]-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
CID 122195185
N-(2,4-dichlorophenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 1511530
N-(3-chloro-4-fluorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 3111024
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 24239382
1-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-1,2,4-triazole-3-carboxamide
CID 176163000
N-(2,4-dichlorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 749082
N-(3,4-dichlorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 804065
N-(2,3-dichlorophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 3111023
N-(2,5-dichlorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 3501111

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide (CID 2565140) is N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is MOGHBXJHESUMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5O/c10-7-2-1-6(3-8(7)11)13-9(17)4-16-5-12-14-15-16/h1-3,5H,4H2,(H,13,17).
What are the key properties of N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide?
N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 272.10 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 2565140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).