N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide

C17H20ClFN2O2 — CID 171731975

IUPACN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3(F)CCOC3)cc2cc1Cl
InChIInChI=1S/C17H20ClFN2O2/c1-10(2)13-7-15-11(6-14(13)18)5-12(21-15)8-20-16(22)17(19)3-4-23-9-17/h5-7,10,21H,3-4,8-9H2,1-2H3,(H,20,22)
InChIKeyMQBYNKSMQDKGEI-UHFFFAOYSA-N
MW338.81 g/mol
LogP3.69
Rot. Bonds4

About N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide (PubChem CID 171731975) has the molecular formula C17H20ClFN2O2 and a molecular weight of 338.81 g/mol. Its IUPAC name is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide
PubChem CID171731975
Molecular FormulaC17H20ClFN2O2
Molecular Weight338.81 g/mol
Exact Mass338.12
IUPAC NameN-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3(F)CCOC3)cc2cc1Cl
InChIInChI=1S/C17H20ClFN2O2/c1-10(2)13-7-15-11(6-14(13)18)5-12(21-15)8-20-16(22)17(19)3-4-23-9-17/h5-7,10,21H,3-4,8-9H2,1-2H3,(H,20,22)
InChIKeyMQBYNKSMQDKGEI-UHFFFAOYSA-N
XLogP3.69
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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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]-3-fluorooxolane-3-carboxamide?
The IUPAC name of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide (CID 171731975) is N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide?
The canonical SMILES for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide is CC(C)c1cc2[nH]c(CNC(=O)C3(F)CCOC3)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide?
The InChIKey is MQBYNKSMQDKGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O2/c1-10(2)13-7-15-11(6-14(13)18)5-12(21-15)8-20-16(22)17(19)3-4-23-9-17/h5-7,10,21H,3-4,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide?
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide has a molecular weight of 338.81 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide is sourced from PubChem (CID 171731975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).