ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate

C15H13ClF3N3O2 — CID 113020838

IUPACethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C15H13ClF3N3O2/c1-2-24-14(23)21-10-4-6-13(20-8-10)22-12-7-9(15(17,18)19)3-5-11(12)16/h3-8H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyRMUKYJOZTQBGTM-UHFFFAOYSA-N
MW359.74 g/mol
LogP5.07
Rot. Bonds4

About ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate

ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate (PubChem CID 113020838) has the molecular formula C15H13ClF3N3O2 and a molecular weight of 359.74 g/mol. Its IUPAC name is ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
PubChem CID113020838
Molecular FormulaC15H13ClF3N3O2
Molecular Weight359.74 g/mol
Exact Mass359.06
IUPAC Nameethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nc1
InChIInChI=1S/C15H13ClF3N3O2/c1-2-24-14(23)21-10-4-6-13(20-8-10)22-12-7-9(15(17,18)19)3-5-11(12)16/h3-8H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeyRMUKYJOZTQBGTM-UHFFFAOYSA-N
XLogP5.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.74
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113022044
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
CID 113035472
ethyl N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113020178
ethyl N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]carbamate
CID 113019009
ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
CID 113022533
6-[2-chloro-5-(trifluoromethyl)anilino]-N,N-diethylpyridine-3-carboxamide
CID 109160757
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
N-butan-2-yl-6-[2-chloro-5-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109152093
methyl 2-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020643
ethyl N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113019994

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate (CID 113020838) is ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)nc1.
What is the InChIKey of ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate?
The InChIKey is RMUKYJOZTQBGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3O2/c1-2-24-14(23)21-10-4-6-13(20-8-10)22-12-7-9(15(17,18)19)3-5-11(12)16/h3-8H,2H2,1H3,(H,20,22)(H,21,23).
What are the key properties of ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate?
ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate has a molecular weight of 359.74 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[2-chloro-5-(trifluoromethyl)anilino]-3-pyridinyl]carbamate is sourced from PubChem (CID 113020838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).