N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide

C17H13BrF3N5O — CID 55430423

IUPACN-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)n1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H13BrF3N5O/c1-10(16(27)22-14-7-3-6-13(18)9-14)26-24-15(23-25-26)11-4-2-5-12(8-11)17(19,20)21/h2-10H,1H3,(H,22,27)
InChIKeyGNBFBTCIYJUEKE-UHFFFAOYSA-N
MW440.22 g/mol
LogP4.32
Rot. Bonds4

About N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide

N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide (PubChem CID 55430423) has the molecular formula C17H13BrF3N5O and a molecular weight of 440.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
PubChem CID55430423
Molecular FormulaC17H13BrF3N5O
Molecular Weight440.22 g/mol
Exact Mass439.03
IUPAC NameN-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
SMILESCC(C(=O)Nc1cccc(Br)c1)n1nnc(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H13BrF3N5O/c1-10(16(27)22-14-7-3-6-13(18)9-14)26-24-15(23-25-26)11-4-2-5-12(8-11)17(19,20)21/h2-10H,1H3,(H,22,27)
InChIKeyGNBFBTCIYJUEKE-UHFFFAOYSA-N
XLogP4.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 30396293
(2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 9353497
(2S)-2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9355658
N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 43058370
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
(2S)-1-(4-ethylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propan-1-one
CID 95270096
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
CID 43024305
(2S)-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(3-chlorophenyl)propanamide
CID 9354256
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430474
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 43024295
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 1149424
(2S)-2-[5-(2-bromophenyl)tetrazol-2-yl]-N-(3-cyanophenyl)propanamide
CID 9354269

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The IUPAC name of N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide (CID 55430423) is N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide is CC(C(=O)Nc1cccc(Br)c1)n1nnc(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The InChIKey is GNBFBTCIYJUEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF3N5O/c1-10(16(27)22-14-7-3-6-13(18)9-14)26-24-15(23-25-26)11-4-2-5-12(8-11)17(19,20)21/h2-10H,1H3,(H,22,27).
What are the key properties of N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide has a molecular weight of 440.22 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide is sourced from PubChem (CID 55430423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).