N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide

C17H10ClF3N2O3 — CID 2526970

IUPACN-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccco1
InChIInChI=1S/C17H10ClF3N2O3/c18-13-8-10(17(19,20)21)9-22-16(13)26-12-5-3-11(4-6-12)23-15(24)14-2-1-7-25-14/h1-9H,(H,23,24)
InChIKeyMUOTTWBOALVLIQ-UHFFFAOYSA-N
MW382.73 g/mol
LogP5.39
Rot. Bonds4

About N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide

N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide (PubChem CID 2526970) has the molecular formula C17H10ClF3N2O3 and a molecular weight of 382.73 g/mol. Its IUPAC name is N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide
PubChem CID2526970
Molecular FormulaC17H10ClF3N2O3
Molecular Weight382.73 g/mol
Exact Mass382.03
IUPAC NameN-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccco1
InChIInChI=1S/C17H10ClF3N2O3/c18-13-8-10(17(19,20)21)9-22-16(13)26-12-5-3-11(4-6-12)23-15(24)14-2-1-7-25-14/h1-9H,(H,23,24)
InChIKeyMUOTTWBOALVLIQ-UHFFFAOYSA-N
XLogP5.39
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.73
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 51394297
N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-2-carboxamide
CID 46421870
N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide
CID 55776313
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 173117551
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide
CID 69084581
N-[5-[2-chloro-5-(trifluoromethyl)anilino]-2-pyridinyl]furan-2-carboxamide
CID 113035477
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
N-[4-[(5-cyano-2-pyridinyl)oxy]phenyl]furan-2-carboxamide
CID 134006943
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide (CID 2526970) is N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide is O=C(Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccco1.
What is the InChIKey of N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide?
The InChIKey is MUOTTWBOALVLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O3/c18-13-8-10(17(19,20)21)9-22-16(13)26-12-5-3-11(4-6-12)23-15(24)14-2-1-7-25-14/h1-9H,(H,23,24).
What are the key properties of N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide?
N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide has a molecular weight of 382.73 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2526970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).