4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

C20H15ClFN3O2 — CID 11610670

IUPAC4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc2c1OCCN2c1ncccc1Cl
InChIInChI=1S/C20H15ClFN3O2/c21-16-4-2-10-23-19(16)25-11-12-27-18-15(3-1-5-17(18)25)20(26)24-14-8-6-13(22)7-9-14/h1-10H,11-12H2,(H,24,26)
InChIKeyLWRDRGDUJANRCG-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.66
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide

4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (PubChem CID 11610670) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
PubChem CID11610670
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1cccc2c1OCCN2c1ncccc1Cl
InChIInChI=1S/C20H15ClFN3O2/c21-16-4-2-10-23-19(16)25-11-12-27-18-15(3-1-5-17(18)25)20(26)24-14-8-6-13(22)7-9-14/h1-10H,11-12H2,(H,24,26)
InChIKeyLWRDRGDUJANRCG-UHFFFAOYSA-N
XLogP4.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide (CID 11610670) is 4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is O=C(Nc1ccc(F)cc1)c1cccc2c1OCCN2c1ncccc1Cl.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
The InChIKey is LWRDRGDUJANRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c21-16-4-2-10-23-19(16)25-11-12-27-18-15(3-1-5-17(18)25)20(26)24-14-8-6-13(22)7-9-14/h1-10H,11-12H2,(H,24,26).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide?
4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide has a molecular weight of 383.81 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-(4-fluorophenyl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 11610670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).