2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate

C15H12ClF3N2O2 — CID 3350634

IUPAC2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)OCCc1ccccn1
InChIInChI=1S/C15H12ClF3N2O2/c16-10-4-5-13(12(9-10)15(17,18)19)21-14(22)23-8-6-11-3-1-2-7-20-11/h1-5,7,9H,6,8H2,(H,21,22)
InChIKeyKEKHXEOJQCJUPG-UHFFFAOYSA-N
MW344.72 g/mol
LogP4.55
Rot. Bonds4

About 2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate

2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (PubChem CID 3350634) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
PubChem CID3350634
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC Name2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)OCCc1ccccn1
InChIInChI=1S/C15H12ClF3N2O2/c16-10-4-5-13(12(9-10)15(17,18)19)21-14(22)23-8-6-11-3-1-2-7-20-11/h1-5,7,9H,6,8H2,(H,21,22)
InChIKeyKEKHXEOJQCJUPG-UHFFFAOYSA-N
XLogP4.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluorophenyl) N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate
CID 3642626
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(phenoxymethyl)urea
CID 108889014
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
5-chloro-2-hydrazinyl-N-(2-pyridin-2-ylethyl)benzamide
CID 62236376
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 110863795
2-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893270
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)urea
CID 108866565
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-methoxypyridine-3-carboxylate
CID 38698880
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050
2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 79796494
2-(2-chloroethoxy)ethyl N-[2-(trifluoromethyl)phenyl]carbamate
CID 103970608

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of 2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate (CID 3350634) is 2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for 2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for 2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is O=C(Nc1ccc(Cl)cc1C(F)(F)F)OCCc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is KEKHXEOJQCJUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-10-4-5-13(12(9-10)15(17,18)19)21-14(22)23-8-6-11-3-1-2-7-20-11/h1-5,7,9H,6,8H2,(H,21,22).
What are the key properties of 2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate?
2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 344.72 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl N-[4-chloro-2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 3350634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).