4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide

C21H18ClFN2O — CID 11383064

IUPAC4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccc(-c2ncccc2Cl)cc1F)c1ccccc1
InChIInChI=1S/C21H18ClFN2O/c1-21(2,15-7-4-3-5-8-15)25-20(26)16-11-10-14(13-18(16)23)19-17(22)9-6-12-24-19/h3-13H,1-2H3,(H,25,26)
InChIKeyNQGQRWXCZJISNP-UHFFFAOYSA-N
MW368.84 g/mol
LogP5.21
Rot. Bonds4

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

4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide (PubChem CID 11383064) 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-(2-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide
PubChem CID11383064
Molecular FormulaC21H18ClFN2O
Molecular Weight368.84 g/mol
Exact Mass368.11
IUPAC Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccc(-c2ncccc2Cl)cc1F)c1ccccc1
InChIInChI=1S/C21H18ClFN2O/c1-21(2,15-7-4-3-5-8-15)25-20(26)16-11-10-14(13-18(16)23)19-17(22)9-6-12-24-19/h3-13H,1-2H3,(H,25,26)
InChIKeyNQGQRWXCZJISNP-UHFFFAOYSA-N
XLogP5.21
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 ≤ 55.21
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-(2-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide (CID 11383064) is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide is CC(C)(NC(=O)c1ccc(-c2ncccc2Cl)cc1F)c1ccccc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide?
The InChIKey is NQGQRWXCZJISNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O/c1-21(2,15-7-4-3-5-8-15)25-20(26)16-11-10-14(13-18(16)23)19-17(22)9-6-12-24-19/h3-13H,1-2H3,(H,25,26).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide?
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(2-phenylpropan-2-yl)benzamide has a molecular weight of 368.84 g/mol, XLogP of 5.21, 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-(2-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 11383064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).