(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide

C19H18F3N5O — CID 7489678

IUPAC(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C)c1ccc(-c2nnn([C@H](C)C(=O)Nc3ccc(F)c(F)c3F)n2)cc1
InChIInChI=1S/C19H18F3N5O/c1-10(2)12-4-6-13(7-5-12)18-24-26-27(25-18)11(3)19(28)23-15-9-8-14(20)16(21)17(15)22/h4-11H,1-3H3,(H,23,28)/t11-/m1/s1
InChIKeyVBKOCZABHVIZFN-LLVKDONJSA-N
MW389.38 g/mol
LogP4.08
Rot. Bonds5

About (2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide

(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 7489678) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is (2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID7489678
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCC(C)c1ccc(-c2nnn([C@H](C)C(=O)Nc3ccc(F)c(F)c3F)n2)cc1
InChIInChI=1S/C19H18F3N5O/c1-10(2)12-4-6-13(7-5-12)18-24-26-27(25-18)11(3)19(28)23-15-9-8-14(20)16(21)17(15)22/h4-11H,1-3H3,(H,23,28)/t11-/m1/s1
InChIKeyVBKOCZABHVIZFN-LLVKDONJSA-N
XLogP4.08
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 31395317
(2R)-N-(4-acetamidophenyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]propanamide
CID 7588720
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 42986987
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(5-chloro-2-methylphenyl)propanamide
CID 46624222
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 46582904
2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
CID 126669266
(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
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
CID 31458753
methyl 4-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]propanoylamino]methyl]benzoate
CID 51311301

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide (CID 7489678) is (2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide is CC(C)c1ccc(-c2nnn([C@H](C)C(=O)Nc3ccc(F)c(F)c3F)n2)cc1.
What is the InChIKey of (2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is VBKOCZABHVIZFN-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-10(2)12-4-6-13(7-5-12)18-24-26-27(25-18)11(3)19(28)23-15-9-8-14(20)16(21)17(15)22/h4-11H,1-3H3,(H,23,28)/t11-/m1/s1.
What are the key properties of (2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide?
(2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 389.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 7489678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).