4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide

C20H16ClFN2O — CID 11245188

IUPAC4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c(C)c1
InChIInChI=1S/C20H16ClFN2O/c1-12-5-8-18(13(2)10-12)24-20(25)15-7-6-14(11-17(15)22)19-16(21)4-3-9-23-19/h3-11H,1-2H3,(H,24,25)
InChIKeyNJTKIONRFGMOAZ-UHFFFAOYSA-N
MW354.81 g/mol
LogP5.41
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide

4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide (PubChem CID 11245188) has the molecular formula C20H16ClFN2O and a molecular weight of 354.81 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
PubChem CID11245188
Molecular FormulaC20H16ClFN2O
Molecular Weight354.81 g/mol
Exact Mass354.09
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c(C)c1
InChIInChI=1S/C20H16ClFN2O/c1-12-5-8-18(13(2)10-12)24-20(25)15-7-6-14(11-17(15)22)19-16(21)4-3-9-23-19/h3-11H,1-2H3,(H,24,25)
InChIKeyNJTKIONRFGMOAZ-UHFFFAOYSA-N
XLogP5.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.81
LogP ≤ 55.41
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)-N-(2,4-dimethylphenyl)-2-fluorobenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide (CID 11245188) is 4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide is Cc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c(C)c1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide?
The InChIKey is NJTKIONRFGMOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O/c1-12-5-8-18(13(2)10-12)24-20(25)15-7-6-14(11-17(15)22)19-16(21)4-3-9-23-19/h3-11H,1-2H3,(H,24,25).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide?
4-(3-chloro-2-pyridinyl)-N-(2,4-dimethylphenyl)-2-fluorobenzamide has a molecular weight of 354.81 g/mol, XLogP of 5.41, 3 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)-N-(2,4-dimethylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 11245188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).