3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

C14H10BrN5O — CID 17126994

IUPAC3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(Br)c1
InChIInChI=1S/C14H10BrN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeyHXGCQRJRUHDKKD-UHFFFAOYSA-N
MW344.17 g/mol
LogP2.88
Rot. Bonds3

About 3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide

3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (PubChem CID 17126994) has the molecular formula C14H10BrN5O and a molecular weight of 344.17 g/mol. Its IUPAC name is 3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
PubChem CID17126994
Molecular FormulaC14H10BrN5O
Molecular Weight344.17 g/mol
Exact Mass343.01
IUPAC Name3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(Br)c1
InChIInChI=1S/C14H10BrN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20)
InChIKeyHXGCQRJRUHDKKD-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

3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668
2-oxo-N-[3-(2H-tetrazol-5-yl)phenyl]-1H-pyridine-4-carboxamide
CID 103763580
3-nitro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163937
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
N-[3-(2H-tetrazol-5-yl)phenyl]-1H-indazole-5-carboxamide
CID 56851706
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
3-[(pyrimidin-4-ylamino)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 166211148
1-methyl-2-phenyl-N-[3-[[3-(2H-tetrazol-5-yl)phenyl]carbamoyl]phenyl]indole-3-carboxamide
CID 166357923
2-(2,6-dichlorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 25064923
2,3-dimethoxy-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17164751
2-chloro-6-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17165094
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide (CID 17126994) is 3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nn[nH]n2)c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
The InChIKey is HXGCQRJRUHDKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20).
What are the key properties of 3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide?
3-bromo-N-[3-(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 3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 17126994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).