4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide

C25H18ClFN2O2 — CID 59673070

IUPAC4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C25H18ClFN2O2/c26-22-7-4-14-28-24(22)21-13-8-18(15-23(21)27)25(30)29-19-9-11-20(12-10-19)31-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,29,30)
InChIKeyKTAJWDRSJIAQMX-UHFFFAOYSA-N
MW432.88 g/mol
LogP6.37
Rot. Bonds6

About 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide

4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 59673070) has the molecular formula C25H18ClFN2O2 and a molecular weight of 432.88 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID59673070
Molecular FormulaC25H18ClFN2O2
Molecular Weight432.88 g/mol
Exact Mass432.10
IUPAC Name4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C25H18ClFN2O2/c26-22-7-4-14-28-24(22)21-13-8-18(15-23(21)27)25(30)29-19-9-11-20(12-10-19)31-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,29,30)
InChIKeyKTAJWDRSJIAQMX-UHFFFAOYSA-N
XLogP6.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.88
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide (CID 59673070) is 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(-c2ncccc2Cl)c(F)c1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is KTAJWDRSJIAQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN2O2/c26-22-7-4-14-28-24(22)21-13-8-18(15-23(21)27)25(30)29-19-9-11-20(12-10-19)31-16-17-5-2-1-3-6-17/h1-15H,16H2,(H,29,30).
What are the key properties of 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide?
4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 432.88 g/mol, XLogP of 6.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-3-fluoro-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 59673070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).