N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide

C19H20ClFN2O3 — CID 160788470

IUPACN-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1nccc(CC(=O)Cc2cc(Cl)ccc2O)c1F
InChIInChI=1S/C19H20ClFN2O3/c1-19(2,3)23-18(26)17-16(21)11(6-7-22-17)9-14(24)10-12-8-13(20)4-5-15(12)25/h4-8,25H,9-10H2,1-3H3,(H,23,26)
InChIKeySBNJLIAOXRSBJM-UHFFFAOYSA-N
MW378.83 g/mol
LogP3.46
Rot. Bonds5

About N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide

N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide (PubChem CID 160788470) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide
PubChem CID160788470
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC NameN-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1nccc(CC(=O)Cc2cc(Cl)ccc2O)c1F
InChIInChI=1S/C19H20ClFN2O3/c1-19(2,3)23-18(26)17-16(21)11(6-7-22-17)9-14(24)10-12-8-13(20)4-5-15(12)25/h4-8,25H,9-10H2,1-3H3,(H,23,26)
InChIKeySBNJLIAOXRSBJM-UHFFFAOYSA-N
XLogP3.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide (CID 160788470) is N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide is CC(C)(C)NC(=O)c1nccc(CC(=O)Cc2cc(Cl)ccc2O)c1F.
What is the InChIKey of N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide?
The InChIKey is SBNJLIAOXRSBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c1-19(2,3)23-18(26)17-16(21)11(6-7-22-17)9-14(24)10-12-8-13(20)4-5-15(12)25/h4-8,25H,9-10H2,1-3H3,(H,23,26).
What are the key properties of N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide?
N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide has a molecular weight of 378.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 160788470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).