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

C17H15ClF3N3O — CID 113036586

IUPACN-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1)C1CCC1
InChIInChI=1S/C17H15ClF3N3O/c18-11-4-6-14(13(8-11)17(19,20)21)23-12-5-7-15(22-9-12)24-16(25)10-2-1-3-10/h4-10,23H,1-3H2,(H,22,24,25)
InChIKeyGJHSFVIRBFPMCB-UHFFFAOYSA-N
MW369.77 g/mol
LogP5.24
Rot. Bonds4

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

N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide (PubChem CID 113036586) has the molecular formula C17H15ClF3N3O and a molecular weight of 369.77 g/mol. Its IUPAC name is N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide
PubChem CID113036586
Molecular FormulaC17H15ClF3N3O
Molecular Weight369.77 g/mol
Exact Mass369.09
IUPAC NameN-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1)C1CCC1
InChIInChI=1S/C17H15ClF3N3O/c18-11-4-6-14(13(8-11)17(19,20)21)23-12-5-7-15(22-9-12)24-16(25)10-2-1-3-10/h4-10,23H,1-3H2,(H,22,24,25)
InChIKeyGJHSFVIRBFPMCB-UHFFFAOYSA-N
XLogP5.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.77
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide
CID 113036581
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113034806
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586
N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]-3-methylbutanamide
CID 113022034
ethyl N-[6-[4-chloro-2-(trifluoromethyl)anilino]-3-pyridinyl]carbamate
CID 113022044
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626
N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032896
N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113022258
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113033852
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide (CID 113036586) is N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide is O=C(Nc1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1)C1CCC1.
What is the InChIKey of N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide?
The InChIKey is GJHSFVIRBFPMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O/c18-11-4-6-14(13(8-11)17(19,20)21)23-12-5-7-15(22-9-12)24-16(25)10-2-1-3-10/h4-10,23H,1-3H2,(H,22,24,25).
What are the key properties of N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide?
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide has a molecular weight of 369.77 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 113036586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).