4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide

C15H17ClN2O2 — CID 77096829

IUPAC4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1(CO)CCC1)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C15H17ClN2O2/c16-11-3-1-4-12-10(11)7-13(18-12)14(20)17-8-15(9-19)5-2-6-15/h1,3-4,7,18-19H,2,5-6,8-9H2,(H,17,20)
InChIKeyWLXLASLZIJVNON-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.71
Rot. Bonds4

About 4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide

4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide (PubChem CID 77096829) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide
PubChem CID77096829
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCC1(CO)CCC1)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C15H17ClN2O2/c16-11-3-1-4-12-10(11)7-13(18-12)14(20)17-8-15(9-19)5-2-6-15/h1,3-4,7,18-19H,2,5-6,8-9H2,(H,17,20)
InChIKeyWLXLASLZIJVNON-UHFFFAOYSA-N
XLogP2.71
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide (CID 77096829) is 4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide is O=C(NCC1(CO)CCC1)c1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is WLXLASLZIJVNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-11-3-1-4-12-10(11)7-13(18-12)14(20)17-8-15(9-19)5-2-6-15/h1,3-4,7,18-19H,2,5-6,8-9H2,(H,17,20).
What are the key properties of 4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide?
4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(hydroxymethyl)cyclobutyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 77096829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).