(1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C16H20Cl2N2O — CID 121419230

IUPAC(1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(Cc1ccc(Cl)c(Cl)c1)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C16H20Cl2N2O/c1-16(2,6-9-3-4-12(17)13(18)5-9)20-15(21)14-10-7-19-8-11(10)14/h3-5,10-11,14,19H,6-8H2,1-2H3,(H,20,21)/t10-,11+,14?
InChIKeyYXENFFRLWPHRCA-BVUQATHDSA-N
MW327.26 g/mol
LogP2.90
Rot. Bonds4

About (1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 121419230) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.26 g/mol. Its IUPAC name is (1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID121419230
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.26 g/mol
Exact Mass326.10
IUPAC Name(1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(Cc1ccc(Cl)c(Cl)c1)NC(=O)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C16H20Cl2N2O/c1-16(2,6-9-3-4-12(17)13(18)5-9)20-15(21)14-10-7-19-8-11(10)14/h3-5,10-11,14,19H,6-8H2,1-2H3,(H,20,21)/t10-,11+,14?
InChIKeyYXENFFRLWPHRCA-BVUQATHDSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 121419230) is (1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(Cc1ccc(Cl)c(Cl)c1)NC(=O)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is YXENFFRLWPHRCA-BVUQATHDSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-16(2,6-9-3-4-12(17)13(18)5-9)20-15(21)14-10-7-19-8-11(10)14/h3-5,10-11,14,19H,6-8H2,1-2H3,(H,20,21)/t10-,11+,14?.
What are the key properties of (1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 327.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 121419230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).