N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide

C16H19ClN2O — CID 159465894

IUPACN-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide
SMILESNC1CCC(NC(=O)C2=Cc3cc(Cl)ccc3C2)CC1
InChIInChI=1S/C16H19ClN2O/c17-13-2-1-10-7-12(8-11(10)9-13)16(20)19-15-5-3-14(18)4-6-15/h1-2,8-9,14-15H,3-7,18H2,(H,19,20)
InChIKeyLVECYGGSIUYNQH-UHFFFAOYSA-N
MW290.79 g/mol
LogP2.67
Rot. Bonds2

About N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide

N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide (PubChem CID 159465894) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide
PubChem CID159465894
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide
SMILESNC1CCC(NC(=O)C2=Cc3cc(Cl)ccc3C2)CC1
InChIInChI=1S/C16H19ClN2O/c17-13-2-1-10-7-12(8-11(10)9-13)16(20)19-15-5-3-14(18)4-6-15/h1-2,8-9,14-15H,3-7,18H2,(H,19,20)
InChIKeyLVECYGGSIUYNQH-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 52.67
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-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide (CID 159465894) is N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide is NC1CCC(NC(=O)C2=Cc3cc(Cl)ccc3C2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide?
The InChIKey is LVECYGGSIUYNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-13-2-1-10-7-12(8-11(10)9-13)16(20)19-15-5-3-14(18)4-6-15/h1-2,8-9,14-15H,3-7,18H2,(H,19,20).
What are the key properties of N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide?
N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide has a molecular weight of 290.79 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-chloro-1H-indene-2-carboxamide is sourced from PubChem (CID 159465894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).