[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate

C15H10ClF3N6O2 — CID 90944692

IUPAC[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate
SMILESCN(C(=O)Oc1ccc(Cl)cc1C(F)(F)F)c1cccc(-n2cnnn2)n1
InChIInChI=1S/C15H10ClF3N6O2/c1-24(12-3-2-4-13(21-12)25-8-20-22-23-25)14(26)27-11-6-5-9(16)7-10(11)15(17,18)19/h2-8H,1H3
InChIKeyAUQIREPQEUPVFR-UHFFFAOYSA-N
MW398.73 g/mol
LogP3.36
Rot. Bonds3

About [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate

[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate (PubChem CID 90944692) has the molecular formula C15H10ClF3N6O2 and a molecular weight of 398.73 g/mol. Its IUPAC name is [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Name[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate
PubChem CID90944692
Molecular FormulaC15H10ClF3N6O2
Molecular Weight398.73 g/mol
Exact Mass398.05
IUPAC Name[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate
SMILESCN(C(=O)Oc1ccc(Cl)cc1C(F)(F)F)c1cccc(-n2cnnn2)n1
InChIInChI=1S/C15H10ClF3N6O2/c1-24(12-3-2-4-13(21-12)25-8-20-22-23-25)14(26)27-11-6-5-9(16)7-10(11)15(17,18)19/h2-8H,1H3
InChIKeyAUQIREPQEUPVFR-UHFFFAOYSA-N
XLogP3.36
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.73
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[3-(tetrazol-1-yl)phenyl]carbamate
CID 91063375
[4-chloro-2-(trifluoromethyl)phenyl] acetate
CID 118592870
bis[4-chloro-2-(trifluoromethyl)phenyl] oxalate
CID 118592938
methyl 6-[[4-chloro-2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylate
CID 155153757
N-(5-chloro-2-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 862139
[2,4-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507111
3-(5-chloro-2-methoxyphenyl)-5-(tetrazol-1-yl)benzoic acid
CID 67316008
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
3-[4-chloro-2-(trifluoromethyl)phenoxy]-5-methylpyrazole-1-carbonyl iodide
CID 89079826
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 55642801
CID 171507537
CID 171507537
CID 171507118
CID 171507118

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate?
The IUPAC name of [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate (CID 90944692) is [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate?
The canonical SMILES for [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate is CN(C(=O)Oc1ccc(Cl)cc1C(F)(F)F)c1cccc(-n2cnnn2)n1.
What is the InChIKey of [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate?
The InChIKey is AUQIREPQEUPVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N6O2/c1-24(12-3-2-4-13(21-12)25-8-20-22-23-25)14(26)27-11-6-5-9(16)7-10(11)15(17,18)19/h2-8H,1H3.
What are the key properties of [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate?
[4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate has a molecular weight of 398.73 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(trifluoromethyl)phenyl] N-methyl-N-[6-(tetrazol-1-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 90944692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).