N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide

C16H16ClFN2O — CID 11381243

IUPACN-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C16H16ClFN2O/c1-16(2,3)20-15(21)11-7-6-10(9-13(11)18)14-12(17)5-4-8-19-14/h4-9H,1-3H3,(H,20,21)
InChIKeyCFHPPBDDZBVUJZ-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.07
Rot. Bonds2

About N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide

N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide (PubChem CID 11381243) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
PubChem CID11381243
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C16H16ClFN2O/c1-16(2,3)20-15(21)11-7-6-10(9-13(11)18)14-12(17)5-4-8-19-14/h4-9H,1-3H3,(H,20,21)
InChIKeyCFHPPBDDZBVUJZ-UHFFFAOYSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-methoxyphenyl)benzamide
CID 11337240
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide
CID 11451124
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(4-nitrophenyl)benzamide
CID 59672710
4-(3-chloro-2-pyridinyl)-N-(3-cyanophenyl)-2-fluorobenzamide
CID 11484943
2-chloro-4-(3-chloro-2-pyridinyl)benzoic acid
CID 68944876
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
2-amino-N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)benzamide
CID 59673398
2-amino-N-tert-butylpyridine-3-carboxamide
CID 59768561
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 59672700
2-[(2S,3R)-3-amino-4-(4-chloro-2,5-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 66638851

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
The IUPAC name of N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide (CID 11381243) is N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide is CC(C)(C)NC(=O)c1ccc(-c2ncccc2Cl)cc1F.
What is the InChIKey of N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
The InChIKey is CFHPPBDDZBVUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-16(2,3)20-15(21)11-7-6-10(9-13(11)18)14-12(17)5-4-8-19-14/h4-9H,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide?
N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide has a molecular weight of 306.77 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-chloro-2-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 11381243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).