N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C17H18ClF3N2O — CID 171731918

IUPACN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3(C(F)(F)F)CC3)cc2cc1Cl
InChIInChI=1S/C17H18ClF3N2O/c1-9(2)12-7-14-10(6-13(12)18)5-11(23-14)8-22-15(24)16(3-4-16)17(19,20)21/h5-7,9,23H,3-4,8H2,1-2H3,(H,22,24)
InChIKeyATGVMQQWLREGGX-UHFFFAOYSA-N
MW358.79 g/mol
LogP4.90
Rot. Bonds4

About N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 171731918) has the molecular formula C17H18ClF3N2O and a molecular weight of 358.79 g/mol. Its IUPAC name is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID171731918
Molecular FormulaC17H18ClF3N2O
Molecular Weight358.79 g/mol
Exact Mass358.11
IUPAC NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3(C(F)(F)F)CC3)cc2cc1Cl
InChIInChI=1S/C17H18ClF3N2O/c1-9(2)12-7-14-10(6-13(12)18)5-11(23-14)8-22-15(24)16(3-4-16)17(19,20)21/h5-7,9,23H,3-4,8H2,1-2H3,(H,22,24)
InChIKeyATGVMQQWLREGGX-UHFFFAOYSA-N
XLogP4.90
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 171731918) is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is CC(C)c1cc2[nH]c(CNC(=O)C3(C(F)(F)F)CC3)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is ATGVMQQWLREGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF3N2O/c1-9(2)12-7-14-10(6-13(12)18)5-11(23-14)8-22-15(24)16(3-4-16)17(19,20)21/h5-7,9,23H,3-4,8H2,1-2H3,(H,22,24).
What are the key properties of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171731918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).