N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C15H12ClFN2O2 — CID 22521346

IUPACN-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCOc2ccccc21
InChIInChI=1S/C15H12ClFN2O2/c16-11-9-10(5-6-12(11)17)18-15(20)19-7-8-21-14-4-2-1-3-13(14)19/h1-6,9H,7-8H2,(H,18,20)
InChIKeyWOZBQEOFZWTHAC-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.91
Rot. Bonds1

About N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 22521346) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID22521346
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)N1CCOc2ccccc21
InChIInChI=1S/C15H12ClFN2O2/c16-11-9-10(5-6-12(11)17)18-15(20)19-7-8-21-14-4-2-1-3-13(14)19/h1-6,9H,7-8H2,(H,18,20)
InChIKeyWOZBQEOFZWTHAC-UHFFFAOYSA-N
XLogP3.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 22521346) is N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)N1CCOc2ccccc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is WOZBQEOFZWTHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c16-11-9-10(5-6-12(11)17)18-15(20)19-7-8-21-14-4-2-1-3-13(14)19/h1-6,9H,7-8H2,(H,18,20).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 306.72 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 22521346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).