5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide

C15H10BrClFN5O — CID 16799284

IUPAC5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClFN5O/c16-9-1-6-13(17)12(7-9)15(24)19-8-14-20-21-22-23(14)11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,24)
InChIKeyICTIZKMELSFIGY-UHFFFAOYSA-N
MW410.63 g/mol
LogP3.15
Rot. Bonds4

About 5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide

5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide (PubChem CID 16799284) has the molecular formula C15H10BrClFN5O and a molecular weight of 410.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
PubChem CID16799284
Molecular FormulaC15H10BrClFN5O
Molecular Weight410.63 g/mol
Exact Mass408.97
IUPAC Name5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C15H10BrClFN5O/c16-9-1-6-13(17)12(7-9)15(24)19-8-14-20-21-22-23(14)11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,24)
InChIKeyICTIZKMELSFIGY-UHFFFAOYSA-N
XLogP3.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 18565796
2-fluoro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 16799279
4-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide
CID 27548864
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 16799307
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
(Z)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]but-2-enamide
CID 18565795
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
2,4-dichloro-N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]benzamide
CID 16799154
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 22579866
2-cyclopentyl-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]acetamide
CID 16799275
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]naphthalene-1-carboxamide
CID 18565743
3-bromo-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzamide
CID 18565556

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide (CID 16799284) is 5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide is O=C(NCc1nnnn1-c1ccc(F)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
The InChIKey is ICTIZKMELSFIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN5O/c16-9-1-6-13(17)12(7-9)15(24)19-8-14-20-21-22-23(14)11-4-2-10(18)3-5-11/h1-7H,8H2,(H,19,24).
What are the key properties of 5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide?
5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide has a molecular weight of 410.63 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 16799284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).