4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide

C20H16ClFN2O2 — CID 59673018

IUPAC4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C20H16ClFN2O2/c1-26-18-7-3-2-5-14(18)12-24-20(25)13-8-9-15(17(22)11-13)19-16(21)6-4-10-23-19/h2-11H,12H2,1H3,(H,24,25)
InChIKeySGUYYGUFPQNFEQ-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.48
Rot. Bonds5

About 4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide

4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 59673018) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID59673018
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Name4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C20H16ClFN2O2/c1-26-18-7-3-2-5-14(18)12-24-20(25)13-8-9-15(17(22)11-13)19-16(21)6-4-10-23-19/h2-11H,12H2,1H3,(H,24,25)
InChIKeySGUYYGUFPQNFEQ-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.48
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-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide (CID 59673018) is 4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1ccc(-c2ncccc2Cl)c(F)c1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is SGUYYGUFPQNFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c1-26-18-7-3-2-5-14(18)12-24-20(25)13-8-9-15(17(22)11-13)19-16(21)6-4-10-23-19/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide?
4-(3-chloro-2-pyridinyl)-3-fluoro-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 370.81 g/mol, XLogP of 4.48, 5 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-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 59673018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).