2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide

C8H4ClF2N5O — CID 2374450

IUPAC2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C8H4ClF2N5O/c9-4-2-6(11)5(10)1-3(4)7(17)12-8-13-15-16-14-8/h1-2H,(H2,12,13,14,15,16,17)
InChIKeyLUCZCCXVOPICAH-UHFFFAOYSA-N
MW259.60 g/mol
LogP1.38
Rot. Bonds2

About 2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide

2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 2374450) has the molecular formula C8H4ClF2N5O and a molecular weight of 259.60 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide
PubChem CID2374450
Molecular FormulaC8H4ClF2N5O
Molecular Weight259.60 g/mol
Exact Mass259.01
IUPAC Name2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nn[nH]n1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C8H4ClF2N5O/c9-4-2-6(11)5(10)1-3(4)7(17)12-8-13-15-16-14-8/h1-2H,(H2,12,13,14,15,16,17)
InChIKeyLUCZCCXVOPICAH-UHFFFAOYSA-N
XLogP1.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.60
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-Tetrazol-5-yl)benzamide
CID 569479
2-chloro-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893153
2-Chloro-N-(1-methyl-1H-tetrazol-5-yl)-benzamide
CID 5076145
2,4-Dichloro-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649694
4-Fluoro-N-(1H-tetrazol-5-yl)benzamide
CID 3094209
3-fluoro-4-iodo-N-(2H-tetrazol-5-yl)benzamide
CID 56826853
N-(5-amino-1h-1,2,4-triazol-3-yl)-4-chloro-2-fluorobenzamide
CID 172654050
2-fluoro-N-(1H-tetrazol-5-yl)benzamide
CID 800116
2-chloro-4-fluoro-N-(2H-tetrazol-5-yl)benzamide
CID 2402645
2,4-dichloro-6-fluoro-N-(1-methyltetrazol-5-yl)benzamide
CID 173785487
2-chloro-N-(1-methyltetrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 176063627
2,5-dichloro-N-(2-propyl-2H-tetraazol-5-yl)benzamide
CID 900459

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide (CID 2374450) is 2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nn[nH]n1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is LUCZCCXVOPICAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2N5O/c9-4-2-6(11)5(10)1-3(4)7(17)12-8-13-15-16-14-8/h1-2H,(H2,12,13,14,15,16,17).
What are the key properties of 2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide?
2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 259.60 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 2374450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).