4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide

C14H10BrN5O — CID 110720188

IUPAC4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN5O/c15-11-5-1-10(2-6-11)14(21)16-12-7-3-9(4-8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeyQEDMSPLBNNPOLY-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.88
Rot. Bonds3

About 4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide

4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 110720188) has the molecular formula C14H10BrN5O and a molecular weight of 344.17 g/mol. Its IUPAC name is 4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID110720188
Molecular FormulaC14H10BrN5O
Molecular Weight344.17 g/mol
Exact Mass343.01
IUPAC Name4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H10BrN5O/c15-11-5-1-10(2-6-11)14(21)16-12-7-3-9(4-8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeyQEDMSPLBNNPOLY-UHFFFAOYSA-N
XLogP2.88
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110743272
N-(4-octoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 11372797
N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 155194195
N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
CID 3606271
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720193
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
2,5-dihydroxy-3-[[4-(2H-tetrazol-5-yl)phenyl]carbamoyl]benzoic acid
CID 156760686

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide (CID 110720188) is 4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is QEDMSPLBNNPOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5O/c15-11-5-1-10(2-6-11)14(21)16-12-7-3-9(4-8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20).
What are the key properties of 4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide?
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide has a molecular weight of 344.17 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 110720188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).