(1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide

C16H24F2N6O2 — CID 167762997

IUPAC(1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)N(CCN(C)C(=O)Cn1cnnn1)C(=O)C1C[C@@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C16H24F2N6O2/c1-10(2)24(15(26)11-6-12-13(7-11)16(12,17)18)5-4-22(3)14(25)8-23-9-19-20-21-23/h9-13H,4-8H2,1-3H3/t11?,12-,13+
InChIKeyBCRHYYUDYPZQFC-YHWZYXNKSA-N
MW370.40 g/mol
LogP0.66
Rot. Bonds7

About (1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide

(1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 167762997) has the molecular formula C16H24F2N6O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is (1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide
PubChem CID167762997
Molecular FormulaC16H24F2N6O2
Molecular Weight370.40 g/mol
Exact Mass370.19
IUPAC Name(1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(C)N(CCN(C)C(=O)Cn1cnnn1)C(=O)C1C[C@@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C16H24F2N6O2/c1-10(2)24(15(26)11-6-12-13(7-11)16(12,17)18)5-4-22(3)14(25)8-23-9-19-20-21-23/h9-13H,4-8H2,1-3H3/t11?,12-,13+
InChIKeyBCRHYYUDYPZQFC-YHWZYXNKSA-N
XLogP0.66
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide (CID 167762997) is (1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide is CC(C)N(CCN(C)C(=O)Cn1cnnn1)C(=O)C1C[C@@H]2[C@H](C1)C2(F)F.
What is the InChIKey of (1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is BCRHYYUDYPZQFC-YHWZYXNKSA-N. The full InChI is InChI=1S/C16H24F2N6O2/c1-10(2)24(15(26)11-6-12-13(7-11)16(12,17)18)5-4-22(3)14(25)8-23-9-19-20-21-23/h9-13H,4-8H2,1-3H3/t11?,12-,13+.
What are the key properties of (1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide?
(1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 0.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6,6-difluoro-N-[2-[methyl-[2-(tetrazol-1-yl)acetyl]amino]ethyl]-N-propan-2-ylbicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 167762997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).