2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide

C20H15F2N5O2 — CID 53172348

IUPAC2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)Nc1ccc(F)cc1F
InChIInChI=1S/C20H15F2N5O2/c21-12-5-6-14(13(22)8-12)24-18(28)10-26-16-2-1-7-23-19(16)27-17(20(26)29)9-15(25-27)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,24,28)
InChIKeyLUYMJPMILBQETE-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.84
Rot. Bonds4

About 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide

2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide (PubChem CID 53172348) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide
PubChem CID53172348
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Name2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)Nc1ccc(F)cc1F
InChIInChI=1S/C20H15F2N5O2/c21-12-5-6-14(13(22)8-12)24-18(28)10-26-16-2-1-7-23-19(16)27-17(20(26)29)9-15(25-27)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,24,28)
InChIKeyLUYMJPMILBQETE-UHFFFAOYSA-N
XLogP2.84
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2-phenylethyl)acetamide
CID 53172403
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53172394
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53172397
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53172395
N-(2,4-difluorophenyl)-2-(3-pyridin-2-ylpyrrolidin-1-yl)acetamide
CID 136540145
N-(2,4-difluorophenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 18569554
N-(2,4-difluorophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 110688890
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2,4-difluorophenyl)acetamide
CID 60972273
N-(2,4-difluorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1096308
1-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-6-oxopyrimidine-5-carboxamide
CID 53040176
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 55875562
2-[6-cyclopropyl-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19499506

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide (CID 53172348) is 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide is O=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide?
The InChIKey is LUYMJPMILBQETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c21-12-5-6-14(13(22)8-12)24-18(28)10-26-16-2-1-7-23-19(16)27-17(20(26)29)9-15(25-27)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,24,28).
What are the key properties of 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide?
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide has a molecular weight of 395.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 53172348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).