2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide

C17H15BrFN5O — CID 46647379

IUPAC2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(F)cc1)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H15BrFN5O/c1-11(17(25)20-10-12-2-8-15(19)9-3-12)24-22-16(21-23-24)13-4-6-14(18)7-5-13/h2-9,11H,10H2,1H3,(H,20,25)
InChIKeyLTPPPFNTDMGBAT-UHFFFAOYSA-N
MW404.24 g/mol
LogP3.12
Rot. Bonds5

About 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide

2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 46647379) has the molecular formula C17H15BrFN5O and a molecular weight of 404.24 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID46647379
Molecular FormulaC17H15BrFN5O
Molecular Weight404.24 g/mol
Exact Mass403.04
IUPAC Name2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(F)cc1)n1nnc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C17H15BrFN5O/c1-11(17(25)20-10-12-2-8-15(19)9-3-12)24-22-16(21-23-24)13-4-6-14(18)7-5-13/h2-9,11H,10H2,1H3,(H,20,25)
InChIKeyLTPPPFNTDMGBAT-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]propanoylamino]methyl]benzoate
CID 51311301
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(2-ethoxyphenyl)propanamide
CID 46624217
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 78851582
(2R)-2-[tert-butyl-[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]amino]-N-[(4-fluorophenyl)methyl]-4-methylpentanamide
CID 1144123
(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(3,4-dimethoxyphenyl)propan-1-one
CID 60603269
N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 61400915
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119504464
1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one
CID 42981745
N-[(4-chlorophenyl)methyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7465914

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 46647379) is 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide is CC(C(=O)NCc1ccc(F)cc1)n1nnc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is LTPPPFNTDMGBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN5O/c1-11(17(25)20-10-12-2-8-15(19)9-3-12)24-22-16(21-23-24)13-4-6-14(18)7-5-13/h2-9,11H,10H2,1H3,(H,20,25).
What are the key properties of 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide?
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 404.24 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 46647379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).