N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide

C8H4Cl2FN5O — CID 107577373

IUPACN-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)c(F)c(Cl)c1)c1nn[nH]n1
InChIInChI=1S/C8H4Cl2FN5O/c9-4-1-3(2-5(10)6(4)11)12-8(17)7-13-15-16-14-7/h1-2H,(H,12,17)(H,13,14,15,16)
InChIKeyPBDFDQDPBDZASS-UHFFFAOYSA-N
MW276.06 g/mol
LogP1.90
Rot. Bonds2

About N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide

N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide (PubChem CID 107577373) has the molecular formula C8H4Cl2FN5O and a molecular weight of 276.06 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide
PubChem CID107577373
Molecular FormulaC8H4Cl2FN5O
Molecular Weight276.06 g/mol
Exact Mass274.98
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)c(F)c(Cl)c1)c1nn[nH]n1
InChIInChI=1S/C8H4Cl2FN5O/c9-4-1-3(2-5(10)6(4)11)12-8(17)7-13-15-16-14-7/h1-2H,(H,12,17)(H,13,14,15,16)
InChIKeyPBDFDQDPBDZASS-UHFFFAOYSA-N
XLogP1.90
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.06
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

disodium;N-[3-cyano-5-(2H-tetrazole-5-carbonylamino)phenyl]-2H-tetrazole-5-carboxamide;hydride
CID 173450419
disodium;N-[2-chloro-3-(2H-tetrazole-5-carbonylamino)-5-(trifluoromethyl)phenyl]-2H-tetrazole-5-carboxamide;hydride
CID 173450412
5-chloro-N-(3,5-dichloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107573378
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107578968
1-(3-chloro-4-fluoro-5-methylphenyl)-3-[2-(2H-tetrazol-5-yl)propan-2-yl]urea
CID 167900175
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107573379
N-(5-chloro-2-methyl-4-nitrophenyl)-2H-tetrazole-5-carboxamide
CID 104668311
N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107575419
N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107578414
N-(3,5-dichloro-4-fluorophenyl)-2-(ethylamino)benzamide
CID 107575712
2-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107573376
4-chloro-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyridine-3-carboxamide
CID 106509693

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide (CID 107577373) is N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide is O=C(Nc1cc(Cl)c(F)c(Cl)c1)c1nn[nH]n1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide?
The InChIKey is PBDFDQDPBDZASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2FN5O/c9-4-1-3(2-5(10)6(4)11)12-8(17)7-13-15-16-14-7/h1-2H,(H,12,17)(H,13,14,15,16).
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide?
N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide has a molecular weight of 276.06 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 107577373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).