N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide

C19H17F3N2O3 — CID 67786533

IUPACN-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC1=C(CCNC(=O)c2cccc(C(F)(F)F)c2)NOC2=CCC(=O)C=C21
InChIInChI=1S/C19H17F3N2O3/c1-11-15-10-14(25)5-6-17(15)27-24-16(11)7-8-23-18(26)12-3-2-4-13(9-12)19(20,21)22/h2-4,6,9-10,24H,5,7-8H2,1H3,(H,23,26)
InChIKeyNUXXKPDHLOKWFA-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.42
Rot. Bonds4

About N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide

N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 67786533) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide
PubChem CID67786533
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC NameN-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide
SMILESCC1=C(CCNC(=O)c2cccc(C(F)(F)F)c2)NOC2=CCC(=O)C=C21
InChIInChI=1S/C19H17F3N2O3/c1-11-15-10-14(25)5-6-17(15)27-24-16(11)7-8-23-18(26)12-3-2-4-13(9-12)19(20,21)22/h2-4,6,9-10,24H,5,7-8H2,1H3,(H,23,26)
InChIKeyNUXXKPDHLOKWFA-UHFFFAOYSA-N
XLogP3.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide (CID 67786533) is N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide is CC1=C(CCNC(=O)c2cccc(C(F)(F)F)c2)NOC2=CCC(=O)C=C21.
What is the InChIKey of N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NUXXKPDHLOKWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-11-15-10-14(25)5-6-17(15)27-24-16(11)7-8-23-18(26)12-3-2-4-13(9-12)19(20,21)22/h2-4,6,9-10,24H,5,7-8H2,1H3,(H,23,26).
What are the key properties of N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide?
N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 378.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6-oxo-2,7-dihydro-1,2-benzoxazin-3-yl)ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 67786533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).