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

C17H11ClF3N3O2 — CID 113035477

IUPACN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1)c1ccco1
InChIInChI=1S/C17H11ClF3N3O2/c18-12-5-3-10(17(19,20)21)8-13(12)23-11-4-6-15(22-9-11)24-16(25)14-2-1-7-26-14/h1-9,23H,(H,22,24,25)
InChIKeyQUVOVQFHZNIWJW-UHFFFAOYSA-N
MW381.74 g/mol
LogP5.34
Rot. Bonds4

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

N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide (PubChem CID 113035477) has the molecular formula C17H11ClF3N3O2 and a molecular weight of 381.74 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
PubChem CID113035477
Molecular FormulaC17H11ClF3N3O2
Molecular Weight381.74 g/mol
Exact Mass381.05
IUPAC NameN-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1)c1ccco1
InChIInChI=1S/C17H11ClF3N3O2/c18-12-5-3-10(17(19,20)21)8-13(12)23-11-4-6-15(22-9-11)24-16(25)14-2-1-7-26-14/h1-9,23H,(H,22,24,25)
InChIKeyQUVOVQFHZNIWJW-UHFFFAOYSA-N
XLogP5.34
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.74
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113035470
methyl 4-chloro-3-[[6-(furan-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035446
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113034810
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]propanamide
CID 113035471
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]butanamide
CID 113035472
5-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109200549
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113033730
N-[6-[4-chloro-3-(trifluoromethyl)anilino]pyridazin-3-yl]furan-2-carboxamide
CID 113050628
N-[5-(2-ethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032400
N-[5-(3,4-dimethylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032100
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032758
N-[5-(3-methylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113031417

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide (CID 113035477) is N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide is O=C(Nc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)cn1)c1ccco1.
What is the InChIKey of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide?
The InChIKey is QUVOVQFHZNIWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2/c18-12-5-3-10(17(19,20)21)8-13(12)23-11-4-6-15(22-9-11)24-16(25)14-2-1-7-26-14/h1-9,23H,(H,22,24,25).
What are the key properties of N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide?
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide has a molecular weight of 381.74 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 113035477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).