N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide

C17H15ClF3N3O2 — CID 113036581

IUPACN-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1)C1CCCO1
InChIInChI=1S/C17H15ClF3N3O2/c18-10-3-5-13(12(8-10)17(19,20)21)23-11-4-6-15(22-9-11)24-16(25)14-2-1-7-26-14/h3-6,8-9,14,23H,1-2,7H2,(H,22,24,25)
InChIKeyZFGHEBRBSLPROY-UHFFFAOYSA-N
MW385.77 g/mol
LogP4.61
Rot. Bonds4

About N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide

N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 113036581) has the molecular formula C17H15ClF3N3O2 and a molecular weight of 385.77 g/mol. Its IUPAC name is N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide
PubChem CID113036581
Molecular FormulaC17H15ClF3N3O2
Molecular Weight385.77 g/mol
Exact Mass385.08
IUPAC NameN-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1)C1CCCO1
InChIInChI=1S/C17H15ClF3N3O2/c18-10-3-5-13(12(8-10)17(19,20)21)23-11-4-6-15(22-9-11)24-16(25)14-2-1-7-26-14/h3-6,8-9,14,23H,1-2,7H2,(H,22,24,25)
InChIKeyZFGHEBRBSLPROY-UHFFFAOYSA-N
XLogP4.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide
CID 113036586
N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113031947
N-[4-[(5-chloro-2-methoxybenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781948
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113033729
(2S)-N-[5-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 96510032
N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113036541
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113023110
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113034806
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide (CID 113036581) is N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide is O=C(Nc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1)C1CCCO1.
What is the InChIKey of N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is ZFGHEBRBSLPROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2/c18-10-3-5-13(12(8-10)17(19,20)21)23-11-4-6-15(22-9-11)24-16(25)14-2-1-7-26-14/h3-6,8-9,14,23H,1-2,7H2,(H,22,24,25).
What are the key properties of N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide?
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide has a molecular weight of 385.77 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113036581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).