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

C15H11BrFN5O — CID 42569387

IUPAC5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Br)ccc1-n1cnnn1
InChIInChI=1S/C15H11BrFN5O/c16-11-3-6-14(22-9-19-20-21-22)13(7-11)15(23)18-8-10-1-4-12(17)5-2-10/h1-7,9H,8H2,(H,18,23)
InChIKeyBHUHMVHEFQCEEE-UHFFFAOYSA-N
MW376.19 g/mol
LogP2.49
Rot. Bonds4

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

5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 42569387) has the molecular formula C15H11BrFN5O and a molecular weight of 376.19 g/mol. Its IUPAC name is 5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
PubChem CID42569387
Molecular FormulaC15H11BrFN5O
Molecular Weight376.19 g/mol
Exact Mass375.01
IUPAC Name5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(Br)ccc1-n1cnnn1
InChIInChI=1S/C15H11BrFN5O/c16-11-3-6-14(22-9-19-20-21-22)13(7-11)15(23)18-8-10-1-4-12(17)5-2-10/h1-7,9H,8H2,(H,18,23)
InChIKeyBHUHMVHEFQCEEE-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

5-fluoro-N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42535796
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
2-chloro-N-[(4-fluorophenyl)methyl]-5-(tetrazol-1-yl)benzamide
CID 29139776
5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42534396
5-fluoro-N-(2-phenylethyl)-2-(tetrazol-1-yl)benzamide
CID 42534608
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 29140117
4-fluoro-N-[2-(4-hydroxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 29131778
5-bromo-2-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 71708594
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide
CID 42571607

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide (CID 42569387) is 5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide is O=C(NCc1ccc(F)cc1)c1cc(Br)ccc1-n1cnnn1.
What is the InChIKey of 5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is BHUHMVHEFQCEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN5O/c16-11-3-6-14(22-9-19-20-21-22)13(7-11)15(23)18-8-10-1-4-12(17)5-2-10/h1-7,9H,8H2,(H,18,23).
What are the key properties of 5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide?
5-bromo-N-[(4-fluorophenyl)methyl]-2-(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 5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42569387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).