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

C16H12ClF3N2O2 — CID 1479550

IUPACN-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)C1CC1
InChIInChI=1S/C16H12ClF3N2O2/c17-12-7-11(22-15(23)9-1-2-9)4-5-13(12)24-14-6-3-10(8-21-14)16(18,19)20/h3-9H,1-2H2,(H,22,23)
InChIKeyVCRJNSQZSKSUOS-UHFFFAOYSA-N
MW356.73 g/mol
LogP4.89
Rot. Bonds4

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

N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide (PubChem CID 1479550) has the molecular formula C16H12ClF3N2O2 and a molecular weight of 356.73 g/mol. Its IUPAC name is N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide
PubChem CID1479550
Molecular FormulaC16H12ClF3N2O2
Molecular Weight356.73 g/mol
Exact Mass356.05
IUPAC NameN-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)C1CC1
InChIInChI=1S/C16H12ClF3N2O2/c17-12-7-11(22-15(23)9-1-2-9)4-5-13(12)24-14-6-3-10(8-21-14)16(18,19)20/h3-9H,1-2H2,(H,22,23)
InChIKeyVCRJNSQZSKSUOS-UHFFFAOYSA-N
XLogP4.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.73
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide (CID 1479550) is N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)C1CC1.
What is the InChIKey of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide?
The InChIKey is VCRJNSQZSKSUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O2/c17-12-7-11(22-15(23)9-1-2-9)4-5-13(12)24-14-6-3-10(8-21-14)16(18,19)20/h3-9H,1-2H2,(H,22,23).
What are the key properties of N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide?
N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide has a molecular weight of 356.73 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 1479550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).