N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide

C20H19F3N6O2 — CID 43058370

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)c1
InChIInChI=1S/C20H19F3N6O2/c1-11-7-8-16(12(2)9-11)24-19(31)25-18(30)13(3)29-27-17(26-28-29)14-5-4-6-15(10-14)20(21,22)23/h4-10,13H,1-3H3,(H2,24,25,30,31)
InChIKeyLHUJKSNOZJZQOO-UHFFFAOYSA-N
MW432.41 g/mol
LogP3.89
Rot. Bonds4

About N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide (PubChem CID 43058370) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
PubChem CID43058370
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)c1
InChIInChI=1S/C20H19F3N6O2/c1-11-7-8-16(12(2)9-11)24-19(31)25-18(30)13(3)29-27-17(26-28-29)14-5-4-6-15(10-14)20(21,22)23/h4-10,13H,1-3H3,(H2,24,25,30,31)
InChIKeyLHUJKSNOZJZQOO-UHFFFAOYSA-N
XLogP3.89
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2-fluorophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 9353497
N-(2,4-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4796992
(2S)-N-cyclopropyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 30396293
N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430423
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 46529469
N-(2,5-dimethylphenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 4798319
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 46583399
(2S)-1-(4-ethylpiperazin-1-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propan-1-one
CID 95270096
2-[5-[3,5-bis(trifluoromethyl)phenyl]tetrazol-2-yl]-N-(2,2-dimethylpropylideneamino)propanamide
CID 2730782
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 9408832
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430474
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]acetamide
CID 38907660

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide (CID 43058370) is N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide is Cc1ccc(NC(=O)NC(=O)C(C)n2nnc(-c3cccc(C(F)(F)F)c3)n2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
The InChIKey is LHUJKSNOZJZQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-11-7-8-16(12(2)9-11)24-19(31)25-18(30)13(3)29-27-17(26-28-29)14-5-4-6-15(10-14)20(21,22)23/h4-10,13H,1-3H3,(H2,24,25,30,31).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide has a molecular weight of 432.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide is sourced from PubChem (CID 43058370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).