N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide

C19H14ClFN2O2 — CID 58337447

IUPACN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)c1
InChIInChI=1S/C19H14ClFN2O2/c1-12-3-2-4-13(5-12)19(24)23-16-6-14(20)7-17(9-16)25-18-8-15(21)10-22-11-18/h2-11H,1H3,(H,23,24)
InChIKeyKTPPYMLEEASOGK-UHFFFAOYSA-N
MW356.78 g/mol
LogP5.23
Rot. Bonds4

About N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide

N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide (PubChem CID 58337447) has the molecular formula C19H14ClFN2O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide
PubChem CID58337447
Molecular FormulaC19H14ClFN2O2
Molecular Weight356.78 g/mol
Exact Mass356.07
IUPAC NameN-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)c1
InChIInChI=1S/C19H14ClFN2O2/c1-12-3-2-4-13(5-12)19(24)23-16-6-14(20)7-17(9-16)25-18-8-15(21)10-22-11-18/h2-11H,1H3,(H,23,24)
InChIKeyKTPPYMLEEASOGK-UHFFFAOYSA-N
XLogP5.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.78
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide (CID 58337447) is N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(Cl)cc(Oc3cncc(F)c3)c2)c1.
What is the InChIKey of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide?
The InChIKey is KTPPYMLEEASOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2/c1-12-3-2-4-13(5-12)19(24)23-16-6-14(20)7-17(9-16)25-18-8-15(21)10-22-11-18/h2-11H,1H3,(H,23,24).
What are the key properties of N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide?
N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide has a molecular weight of 356.78 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-methylbenzamide is sourced from PubChem (CID 58337447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).