2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide

C19H17FN2O2 — CID 7526566

IUPAC2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
SMILESC[C@H]1C(=O)N2CCCc3cc(NC(=O)c4ccccc4F)cc1c32
InChIInChI=1S/C19H17FN2O2/c1-11-15-10-13(21-18(23)14-6-2-3-7-16(14)20)9-12-5-4-8-22(17(12)15)19(11)24/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,21,23)/t11-/m1/s1
InChIKeySFPKBAJTXSWTJP-LLVKDONJSA-N
MW324.36 g/mol
LogP3.47
Rot. Bonds2

About 2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide

2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide (PubChem CID 7526566) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
PubChem CID7526566
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
SMILESC[C@H]1C(=O)N2CCCc3cc(NC(=O)c4ccccc4F)cc1c32
InChIInChI=1S/C19H17FN2O2/c1-11-15-10-13(21-18(23)14-6-2-3-7-16(14)20)9-12-5-4-8-22(17(12)15)19(11)24/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,21,23)/t11-/m1/s1
InChIKeySFPKBAJTXSWTJP-LLVKDONJSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 18577995
methyl 2-[[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]carbamoyl]benzoate
CID 7526641
2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
CID 7526639
3-methyl-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
CID 7526625
N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide
CID 7526568
N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-1,3-benzodioxole-5-carboxamide
CID 7526617
N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide
CID 18577989
3,3-dimethyl-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]butanamide
CID 7526537
N-[(2-methoxyphenyl)methyl]-N'-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 16823241
N-[(2-methoxyphenyl)methyl]-N'-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]oxamide
CID 51468135
4-fluoro-3-methyl-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzenesulfonamide
CID 7526695
3-(4-methoxyphenyl)-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]propanamide
CID 7526635

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide (CID 7526566) is 2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide is C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4ccccc4F)cc1c32.
What is the InChIKey of 2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide?
The InChIKey is SFPKBAJTXSWTJP-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-11-15-10-13(21-18(23)14-6-2-3-7-16(14)20)9-12-5-4-8-22(17(12)15)19(11)24/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,21,23)/t11-/m1/s1.
What are the key properties of 2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide?
2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide has a molecular weight of 324.36 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide is sourced from PubChem (CID 7526566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).