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

C17H21FN2O2 — CID 171731904

IUPACN-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3(CO)CC3)cc2cc1F
InChIInChI=1S/C17H21FN2O2/c1-10(2)13-7-15-11(6-14(13)18)5-12(20-15)8-19-16(22)17(9-21)3-4-17/h5-7,10,20-21H,3-4,8-9H2,1-2H3,(H,19,22)
InChIKeyMFWSTNRWISKVRX-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.82
Rot. Bonds5

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

N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 171731904) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID171731904
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC NameN-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESCC(C)c1cc2[nH]c(CNC(=O)C3(CO)CC3)cc2cc1F
InChIInChI=1S/C17H21FN2O2/c1-10(2)13-7-15-11(6-14(13)18)5-12(20-15)8-19-16(22)17(9-21)3-4-17/h5-7,10,20-21H,3-4,8-9H2,1-2H3,(H,19,22)
InChIKeyMFWSTNRWISKVRX-UHFFFAOYSA-N
XLogP2.82
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 171731904) is N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is CC(C)c1cc2[nH]c(CNC(=O)C3(CO)CC3)cc2cc1F.
What is the InChIKey of N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is MFWSTNRWISKVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-10(2)13-7-15-11(6-14(13)18)5-12(20-15)8-19-16(22)17(9-21)3-4-17/h5-7,10,20-21H,3-4,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171731904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).