N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide

C15H11BrFN5O — CID 46460818

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H11BrFN5O/c16-12-4-5-14(17)11(6-12)8-18-15(23)10-2-1-3-13(7-10)22-9-19-20-21-22/h1-7,9H,8H2,(H,18,23)
InChIKeyIKPVQBLUTREEGP-UHFFFAOYSA-N
MW376.19 g/mol
LogP2.49
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide

N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 46460818) has the molecular formula C15H11BrFN5O and a molecular weight of 376.19 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
PubChem CID46460818
Molecular FormulaC15H11BrFN5O
Molecular Weight376.19 g/mol
Exact Mass375.01
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H11BrFN5O/c16-12-4-5-14(17)11(6-12)8-18-15(23)10-2-1-3-13(7-10)22-9-19-20-21-22/h1-7,9H,8H2,(H,18,23)
InChIKeyIKPVQBLUTREEGP-UHFFFAOYSA-N
XLogP2.49
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34554477
N-[(5-bromo-2-fluorophenyl)methyl]-4-(tetrazol-1-yl)aniline
CID 28621637
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-(1,3-benzodioxol-5-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 26911241
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
N-(cyclohexylmethyl)-3-(tetrazol-1-yl)benzamide
CID 42997884
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
CID 113264962
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 90569406
3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91819084

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide (CID 46460818) is N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide is O=C(NCc1cc(Br)ccc1F)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is IKPVQBLUTREEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN5O/c16-12-4-5-14(17)11(6-12)8-18-15(23)10-2-1-3-13(7-10)22-9-19-20-21-22/h1-7,9H,8H2,(H,18,23).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 376.19 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 46460818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).