5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide

C14H8BrCl2N5O — CID 42571607

IUPAC5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)ccc1-n1cnnn1
InChIInChI=1S/C14H8BrCl2N5O/c15-8-1-4-13(22-7-18-20-21-22)10(5-8)14(23)19-12-3-2-9(16)6-11(12)17/h1-7H,(H,19,23)
InChIKeyYSQNNEWAICGHIM-UHFFFAOYSA-N
MW413.06 g/mol
LogP3.98
Rot. Bonds3

About 5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide

5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide (PubChem CID 42571607) has the molecular formula C14H8BrCl2N5O and a molecular weight of 413.06 g/mol. Its IUPAC name is 5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide
PubChem CID42571607
Molecular FormulaC14H8BrCl2N5O
Molecular Weight413.06 g/mol
Exact Mass410.93
IUPAC Name5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)ccc1-n1cnnn1
InChIInChI=1S/C14H8BrCl2N5O/c15-8-1-4-13(22-7-18-20-21-22)10(5-8)14(23)19-12-3-2-9(16)6-11(12)17/h1-7H,(H,19,23)
InChIKeyYSQNNEWAICGHIM-UHFFFAOYSA-N
XLogP3.98
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.06
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
CID 42571314
N-(2-acetylphenyl)-5-bromo-2-(tetrazol-1-yl)benzamide
CID 29135709
N-(2,5-dichlorophenyl)-4-fluoro-2-(tetrazol-1-yl)benzamide
CID 29129325
ethyl 2-[[5-bromo-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29139681
5-bromo-2-chloro-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 40622208
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
2-chloro-5-[[5-chloro-2-(tetrazol-1-yl)benzoyl]amino]-N,N-dimethylbenzamide
CID 55674423
5-chloro-N-(1-methylpyrazol-4-yl)-2-(tetrazol-1-yl)benzamide
CID 32609786
5-bromo-2-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 71708594
2-bromo-N-(4-bromo-2-chlorophenyl)-4-chlorobenzamide
CID 113257224
5-bromo-N-[(4-fluorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42569387
5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(tetrazol-1-yl)benzamide
CID 29133006

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide (CID 42571607) is 5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide is O=C(Nc1ccc(Cl)cc1Cl)c1cc(Br)ccc1-n1cnnn1.
What is the InChIKey of 5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide?
The InChIKey is YSQNNEWAICGHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2N5O/c15-8-1-4-13(22-7-18-20-21-22)10(5-8)14(23)19-12-3-2-9(16)6-11(12)17/h1-7H,(H,19,23).
What are the key properties of 5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide?
5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide has a molecular weight of 413.06 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,4-dichlorophenyl)-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 42571607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).