2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide

C14H16ClNO — CID 3058664

IUPAC2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide
SMILESO=C(CCl)NC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C14H16ClNO/c15-8-14(17)16-13-5-4-11-6-9-2-1-3-10(9)7-12(11)13/h6-7,13H,1-5,8H2,(H,16,17)
InChIKeyCSQLKECBJSJIKI-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.52
Rot. Bonds2

About 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide

2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide (PubChem CID 3058664) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide
PubChem CID3058664
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide
SMILESO=C(CCl)NC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C14H16ClNO/c15-8-14(17)16-13-5-4-11-6-9-2-1-3-10(9)7-12(11)13/h6-7,13H,1-5,8H2,(H,16,17)
InChIKeyCSQLKECBJSJIKI-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-1-piperidineacetamide hydrochloride
CID 3058667
2-chloro-N-[1-(4-methylphenyl)propyl]acetamide
CID 4868368
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)acetamide
CID 53268
Acetamide, N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-((1-methylethyl)(phenylmethyl)amino)-, monohydrochloride, hydrate
CID 53269
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)formamide
CID 3058663
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-1-pyrrolidineacetamide hydrochloride
CID 3058665
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-3-methylbutanamide
CID 3058669
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-4-methyl-1-piperazineacetamide dihydrochloride
CID 3058673
1,2,3,5,6,7-Hexahydro-N-ethyl-s-indacen-1-amine hydrochloride
CID 3058677
2-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 4962355
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-(1-piperidinyl)acetamide
CID 3058668
2-chloro-N-[cyclopentyl(phenyl)methyl]acetamide
CID 54592496

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide?
The IUPAC name of 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide (CID 3058664) is 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide?
The canonical SMILES for 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide is O=C(CCl)NC1CCc2cc3c(cc21)CCC3.
What is the InChIKey of 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide?
The InChIKey is CSQLKECBJSJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c15-8-14(17)16-13-5-4-11-6-9-2-1-3-10(9)7-12(11)13/h6-7,13H,1-5,8H2,(H,16,17).
What are the key properties of 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide?
2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide has a molecular weight of 249.74 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide is sourced from PubChem (CID 3058664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).