N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide

C14H18FN3O — CID 110833500

IUPACN-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC(C)(C)CN)cc2c(F)cccc21
InChIInChI=1S/C14H18FN3O/c1-14(2,8-16)17-13(19)12-7-9-10(15)5-4-6-11(9)18(12)3/h4-7H,8,16H2,1-3H3,(H,17,19)
InChIKeyYJOBOEFZVXLARE-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.78
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide

N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide (PubChem CID 110833500) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide
PubChem CID110833500
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC(C)(C)CN)cc2c(F)cccc21
InChIInChI=1S/C14H18FN3O/c1-14(2,8-16)17-13(19)12-7-9-10(15)5-4-6-11(9)18(12)3/h4-7H,8,16H2,1-3H3,(H,17,19)
InChIKeyYJOBOEFZVXLARE-UHFFFAOYSA-N
XLogP1.78
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide (CID 110833500) is N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide is Cn1c(C(=O)NC(C)(C)CN)cc2c(F)cccc21.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide?
The InChIKey is YJOBOEFZVXLARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-14(2,8-16)17-13(19)12-7-9-10(15)5-4-6-11(9)18(12)3/h4-7H,8,16H2,1-3H3,(H,17,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide?
N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide is sourced from PubChem (CID 110833500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).