7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide

C19H23ClF3N3O4 — CID 147282484

IUPAC7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide
SMILESCC(C)NC(=O)c1cc2c(cc1Cl)OC(C)(C)C(=O)N2CCNC(=O)CC(F)(F)F
InChIInChI=1S/C19H23ClF3N3O4/c1-10(2)25-16(28)11-7-13-14(8-12(11)20)30-18(3,4)17(29)26(13)6-5-24-15(27)9-19(21,22)23/h7-8,10H,5-6,9H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyCSOUYUMRVLHXMR-UHFFFAOYSA-N
MW449.86 g/mol
LogP3.05
Rot. Bonds6

About 7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide

7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide (PubChem CID 147282484) has the molecular formula C19H23ClF3N3O4 and a molecular weight of 449.86 g/mol. Its IUPAC name is 7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide
PubChem CID147282484
Molecular FormulaC19H23ClF3N3O4
Molecular Weight449.86 g/mol
Exact Mass449.13
IUPAC Name7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide
SMILESCC(C)NC(=O)c1cc2c(cc1Cl)OC(C)(C)C(=O)N2CCNC(=O)CC(F)(F)F
InChIInChI=1S/C19H23ClF3N3O4/c1-10(2)25-16(28)11-7-13-14(8-12(11)20)30-18(3,4)17(29)26(13)6-5-24-15(27)9-19(21,22)23/h7-8,10H,5-6,9H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyCSOUYUMRVLHXMR-UHFFFAOYSA-N
XLogP3.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.86
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide (CID 147282484) is 7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide is CC(C)NC(=O)c1cc2c(cc1Cl)OC(C)(C)C(=O)N2CCNC(=O)CC(F)(F)F.
What is the InChIKey of 7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide?
The InChIKey is CSOUYUMRVLHXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF3N3O4/c1-10(2)25-16(28)11-7-13-14(8-12(11)20)30-18(3,4)17(29)26(13)6-5-24-15(27)9-19(21,22)23/h7-8,10H,5-6,9H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide?
7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide has a molecular weight of 449.86 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2-dimethyl-3-oxo-N-propan-2-yl-4-[2-(3,3,3-trifluoropropanoylamino)ethyl]-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 147282484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).