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

C17H18ClFN2O2 — CID 171519487

IUPACN-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide
SMILESC=C(C)c1cc2[nH]c(CNC(=O)C3(F)CCOC3)cc2cc1Cl
InChIInChI=1S/C17H18ClFN2O2/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/h5-7,21H,1,3-4,8-9H2,2H3,(H,20,22)
InChIKeyLBQDGISDQKXSKW-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.60
Rot. Bonds4

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

N-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide (PubChem CID 171519487) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is N-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide
PubChem CID171519487
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC NameN-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide
SMILESC=C(C)c1cc2[nH]c(CNC(=O)C3(F)CCOC3)cc2cc1Cl
InChIInChI=1S/C17H18ClFN2O2/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/h5-7,21H,1,3-4,8-9H2,2H3,(H,20,22)
InChIKeyLBQDGISDQKXSKW-UHFFFAOYSA-N
XLogP3.60
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide?
The IUPAC name of N-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide (CID 171519487) is N-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide?
The canonical SMILES for N-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide is C=C(C)c1cc2[nH]c(CNC(=O)C3(F)CCOC3)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide?
The InChIKey is LBQDGISDQKXSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/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/h5-7,21H,1,3-4,8-9H2,2H3,(H,20,22).
What are the key properties of N-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide?
N-[(5-chloro-6-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide has a molecular weight of 336.79 g/mol, XLogP of 3.60, 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-prop-1-en-2-yl-1H-indol-2-yl)methyl]-3-fluorooxolane-3-carboxamide is sourced from PubChem (CID 171519487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).