3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide

C13H12Cl2F3N3O2 — CID 87424023

IUPAC3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]23)c(Cl)c1Cl
InChIInChI=1S/C13H12Cl2F3N3O2/c1-4-7(14)8(15)10(19-4)11(22)20-9-5-2-21(3-6(5)9)12(23)13(16,17)18/h5-6,9,19H,2-3H2,1H3,(H,20,22)/t5-,6+,9?
InChIKeyHDAPMJAFWDJENJ-SFJPZXRQSA-N
MW370.16 g/mol
LogP2.38
Rot. Bonds2

About 3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide

3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide (PubChem CID 87424023) has the molecular formula C13H12Cl2F3N3O2 and a molecular weight of 370.16 g/mol. Its IUPAC name is 3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide
PubChem CID87424023
Molecular FormulaC13H12Cl2F3N3O2
Molecular Weight370.16 g/mol
Exact Mass369.03
IUPAC Name3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide
SMILESCc1[nH]c(C(=O)NC2[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]23)c(Cl)c1Cl
InChIInChI=1S/C13H12Cl2F3N3O2/c1-4-7(14)8(15)10(19-4)11(22)20-9-5-2-21(3-6(5)9)12(23)13(16,17)18/h5-6,9,19H,2-3H2,1H3,(H,20,22)/t5-,6+,9?
InChIKeyHDAPMJAFWDJENJ-SFJPZXRQSA-N
XLogP2.38
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.16
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide (CID 87424023) is 3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide is Cc1[nH]c(C(=O)NC2[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]23)c(Cl)c1Cl.
What is the InChIKey of 3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is HDAPMJAFWDJENJ-SFJPZXRQSA-N. The full InChI is InChI=1S/C13H12Cl2F3N3O2/c1-4-7(14)8(15)10(19-4)11(22)20-9-5-2-21(3-6(5)9)12(23)13(16,17)18/h5-6,9,19H,2-3H2,1H3,(H,20,22)/t5-,6+,9?.
What are the key properties of 3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide?
3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 370.16 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-5-methyl-N-[(1S,5R)-3-(2,2,2-trifluoroacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 87424023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).