N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide

C9H7Cl2N5O — CID 2799350

IUPACN-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H7Cl2N5O/c10-5-1-6(11)3-7(2-5)12-9(17)4-8-13-15-16-14-8/h1-3H,4H2,(H,12,17)(H,13,14,15,16)
InChIKeyRFJZGCLWJNRBHT-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.69
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide

N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 2799350) has the molecular formula C9H7Cl2N5O and a molecular weight of 272.10 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID2799350
Molecular FormulaC9H7Cl2N5O
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC NameN-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H7Cl2N5O/c10-5-1-6(11)3-7(2-5)12-9(17)4-8-13-15-16-14-8/h1-3H,4H2,(H,12,17)(H,13,14,15,16)
InChIKeyRFJZGCLWJNRBHT-UHFFFAOYSA-N
XLogP1.69
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(2,4-difluorophenyl)-2-(2H-1,2,3,4-tetraazol-5-yl)acetamide
CID 2799349
2-(1H-tetrazol-5-yl)acetanilide
CID 12590729
N-(4-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 858903
N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799348
N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799351
(1S,2R)-N-(3,5-dichlorophenyl)-2-(1H-tetrazol-5-yl)cyclohexanecarboxamide
CID 45484645
N-(3-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499400
N-(2-chlorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 110499380
N-(3-chloro-2-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 80360773
N-(3-chloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 80361865
N-(5-chloro-2-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 80362181
N-(3-chloro-5-fluorophenyl)-2H-tetrazole-5-carboxamide
CID 107370169

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide (CID 2799350) is N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is RFJZGCLWJNRBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5O/c10-5-1-6(11)3-7(2-5)12-9(17)4-8-13-15-16-14-8/h1-3H,4H2,(H,12,17)(H,13,14,15,16).
What are the key properties of N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 272.10 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 2799350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).