N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide

C17H16BrN5O — CID 55616466

IUPACN-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2Br)ccc1-n1cnnn1
InChIInChI=1S/C17H16BrN5O/c1-11-9-13(7-8-16(11)23-10-19-21-22-23)17(24)20-12(2)14-5-3-4-6-15(14)18/h3-10,12H,1-2H3,(H,20,24)
InChIKeyGAOWPYKTVNHDGE-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.22
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide

N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide (PubChem CID 55616466) has the molecular formula C17H16BrN5O and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
PubChem CID55616466
Molecular FormulaC17H16BrN5O
Molecular Weight386.25 g/mol
Exact Mass385.05
IUPAC NameN-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2Br)ccc1-n1cnnn1
InChIInChI=1S/C17H16BrN5O/c1-11-9-13(7-8-16(11)23-10-19-21-22-23)17(24)20-12(2)14-5-3-4-6-15(14)18/h3-10,12H,1-2H3,(H,20,24)
InChIKeyGAOWPYKTVNHDGE-UHFFFAOYSA-N
XLogP3.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide
CID 46547369
N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 42893682
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 26171953
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
N-[1-(2-bromophenyl)ethyl]-4-methyl-3-methylsulfonylbenzamide
CID 47046744
N-(5-bromo-2-pyridinyl)-3-methyl-4-(tetrazol-1-yl)benzamide
CID 55773373
3-methyl-N-[(1-phenylcyclopropyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 46408400
4-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-3-chlorobenzamide
CID 81396694
4-amino-N-[1-(2-bromophenyl)ethyl]-3-fluorobenzamide
CID 62680240
N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
CID 8759706
5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
CID 9220092

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide (CID 55616466) is N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide is Cc1cc(C(=O)NC(C)c2ccccc2Br)ccc1-n1cnnn1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
The InChIKey is GAOWPYKTVNHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O/c1-11-9-13(7-8-16(11)23-10-19-21-22-23)17(24)20-12(2)14-5-3-4-6-15(14)18/h3-10,12H,1-2H3,(H,20,24).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide?
N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide has a molecular weight of 386.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-3-methyl-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 55616466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).