N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide

C20H18F2N2O3 — CID 167985959

IUPACN-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCC1CC(NC(=O)c2cccc3c2NC(=O)CO3)(c2c(F)cccc2F)C1
InChIInChI=1S/C20H18F2N2O3/c1-11-8-20(9-11,17-13(21)5-3-6-14(17)22)24-19(26)12-4-2-7-15-18(12)23-16(25)10-27-15/h2-7,11H,8-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyRPLMXDWTIVCSGP-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.35
Rot. Bonds3

About N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide

N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide (PubChem CID 167985959) has the molecular formula C20H18F2N2O3 and a molecular weight of 372.37 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
PubChem CID167985959
Molecular FormulaC20H18F2N2O3
Molecular Weight372.37 g/mol
Exact Mass372.13
IUPAC NameN-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide
SMILESCC1CC(NC(=O)c2cccc3c2NC(=O)CO3)(c2c(F)cccc2F)C1
InChIInChI=1S/C20H18F2N2O3/c1-11-8-20(9-11,17-13(21)5-3-6-14(17)22)24-19(26)12-4-2-7-15-18(12)23-16(25)10-27-15/h2-7,11H,8-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyRPLMXDWTIVCSGP-UHFFFAOYSA-N
XLogP3.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The IUPAC name of N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide (CID 167985959) is N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The canonical SMILES for N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide is CC1CC(NC(=O)c2cccc3c2NC(=O)CO3)(c2c(F)cccc2F)C1.
What is the InChIKey of N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
The InChIKey is RPLMXDWTIVCSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O3/c1-11-8-20(9-11,17-13(21)5-3-6-14(17)22)24-19(26)12-4-2-7-15-18(12)23-16(25)10-27-15/h2-7,11H,8-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide?
N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide has a molecular weight of 372.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)-3-methylcyclobutyl]-3-oxo-4H-1,4-benzoxazine-5-carboxamide is sourced from PubChem (CID 167985959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).