4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide

C21H18ClFN2O — CID 11199487

IUPAC4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)cc1
InChIInChI=1S/C21H18ClFN2O/c1-13(2)14-5-8-16(9-6-14)25-21(26)17-10-7-15(12-19(17)23)20-18(22)4-3-11-24-20/h3-13H,1-2H3,(H,25,26)
InChIKeyXHCCPQCWDZBFQD-UHFFFAOYSA-N
MW368.84 g/mol
LogP5.92
Rot. Bonds4

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

4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 11199487) has the molecular formula C21H18ClFN2O and a molecular weight of 368.84 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide
PubChem CID11199487
Molecular FormulaC21H18ClFN2O
Molecular Weight368.84 g/mol
Exact Mass368.11
IUPAC Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide
SMILESCC(C)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)cc1
InChIInChI=1S/C21H18ClFN2O/c1-13(2)14-5-8-16(9-6-14)25-21(26)17-10-7-15(12-19(17)23)20-18(22)4-3-11-24-20/h3-13H,1-2H3,(H,25,26)
InChIKeyXHCCPQCWDZBFQD-UHFFFAOYSA-N
XLogP5.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.84
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide (CID 11199487) is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide is CC(C)c1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is XHCCPQCWDZBFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O/c1-13(2)14-5-8-16(9-6-14)25-21(26)17-10-7-15(12-19(17)23)20-18(22)4-3-11-24-20/h3-13H,1-2H3,(H,25,26).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide?
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 368.84 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 11199487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).