N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide

C13H13F2N5O2 — CID 92597454

IUPACN-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide
SMILESCc1oc2ncn3nc([C@@H](C)NC(=O)C(F)F)nc3c2c1C
InChIInChI=1S/C13H13F2N5O2/c1-5-7(3)22-13-8(5)11-18-10(19-20(11)4-16-13)6(2)17-12(21)9(14)15/h4,6,9H,1-3H3,(H,17,21)/t6-/m1/s1
InChIKeyBEZSECHCRYBROW-ZCFIWIBFSA-N
MW309.28 g/mol
LogP1.93
Rot. Bonds3

About N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide

N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide (PubChem CID 92597454) has the molecular formula C13H13F2N5O2 and a molecular weight of 309.28 g/mol. Its IUPAC name is N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide
PubChem CID92597454
Molecular FormulaC13H13F2N5O2
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC NameN-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide
SMILESCc1oc2ncn3nc([C@@H](C)NC(=O)C(F)F)nc3c2c1C
InChIInChI=1S/C13H13F2N5O2/c1-5-7(3)22-13-8(5)11-18-10(19-20(11)4-16-13)6(2)17-12(21)9(14)15/h4,6,9H,1-3H3,(H,17,21)/t6-/m1/s1
InChIKeyBEZSECHCRYBROW-ZCFIWIBFSA-N
XLogP1.93
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide?
The IUPAC name of N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide (CID 92597454) is N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide is Cc1oc2ncn3nc([C@@H](C)NC(=O)C(F)F)nc3c2c1C.
What is the InChIKey of N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide?
The InChIKey is BEZSECHCRYBROW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C13H13F2N5O2/c1-5-7(3)22-13-8(5)11-18-10(19-20(11)4-16-13)6(2)17-12(21)9(14)15/h4,6,9H,1-3H3,(H,17,21)/t6-/m1/s1.
What are the key properties of N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide?
N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide has a molecular weight of 309.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)ethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 92597454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).