N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide

C17H11ClFN3O2 — CID 122142167

IUPACN-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccncc1F
InChIInChI=1S/C17H11ClFN3O2/c18-14-9-11(22-17(23)13-5-8-21-10-15(13)19)1-2-16(14)24-12-3-6-20-7-4-12/h1-10H,(H,22,23)
InChIKeyFMEAQIHMMQRMDS-UHFFFAOYSA-N
MW343.75 g/mol
LogP4.31
Rot. Bonds4

About N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide

N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide (PubChem CID 122142167) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide
PubChem CID122142167
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC NameN-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccncc1F
InChIInChI=1S/C17H11ClFN3O2/c18-14-9-11(22-17(23)13-5-8-21-10-15(13)19)1-2-16(14)24-12-3-6-20-7-4-12/h1-10H,(H,22,23)
InChIKeyFMEAQIHMMQRMDS-UHFFFAOYSA-N
XLogP4.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichloro-4-hydroxyphenyl)-3-fluoropyridine-4-carboxamide
CID 82885551
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
N-[3-chloro-4-(4-fluorophenoxy)phenyl]pyridine-3-carboxamide
CID 154695915
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(3-chloro-4-sulfamoylphenyl)-3-fluoropyridine-4-carboxamide
CID 64951270
N-(6-chloro-3-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 115645692
N-(3-chloro-4-pyridin-4-yloxyphenyl)-1-methylimidazole-4-carboxamide
CID 122156336
N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxybenzamide
CID 12598084
N-(3-chloro-4-fluorophenyl)-3-pyridin-4-yloxybenzamide
CID 91103914
3-fluoro-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 115645942
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
3-fluoro-N-(4-sulfanylphenyl)pyridine-4-carboxamide
CID 129252405

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide (CID 122142167) is N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide is O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1ccncc1F.
What is the InChIKey of N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is FMEAQIHMMQRMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-14-9-11(22-17(23)13-5-8-21-10-15(13)19)1-2-16(14)24-12-3-6-20-7-4-12/h1-10H,(H,22,23).
What are the key properties of N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide?
N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 343.75 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyridin-4-yloxyphenyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 122142167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).