2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide

C11H12ClN3O — CID 154880645

IUPAC2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide
SMILESO=C(CCl)NCCc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H12ClN3O/c12-6-11(16)13-4-3-8-1-2-10-9(5-8)7-14-15-10/h1-2,5,7H,3-4,6H2,(H,13,16)(H,14,15)
InChIKeyGBYRPFQKDQDAPK-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.46
Rot. Bonds4

About 2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide

2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide (PubChem CID 154880645) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide
PubChem CID154880645
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide
SMILESO=C(CCl)NCCc1ccc2[nH]ncc2c1
InChIInChI=1S/C11H12ClN3O/c12-6-11(16)13-4-3-8-1-2-10-9(5-8)7-14-15-10/h1-2,5,7H,3-4,6H2,(H,13,16)(H,14,15)
InChIKeyGBYRPFQKDQDAPK-UHFFFAOYSA-N
XLogP1.46
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate
CID 126835076
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571
N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
5-(chloromethyl)-1H-indazole;hydrochloride
CID 72710304
2-(1H-indazol-5-yl)acetic acid
CID 39103838
N-[2-[(1S,2S)-2-hydroxycyclohexyl]ethyl]-2-(1H-indazol-5-yl)acetamide
CID 164629485
tert-butyl N-(1H-indazol-5-ylmethyl)carbamate
CID 59462463
N-(1H-indazol-5-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 134037553
5-(3-methoxypropyl)-1H-indazole
CID 175249018
3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
N-[2-(1H-indazol-6-yl)ethyl]cyclopentanecarboxamide
CID 155945475
5-dodecyl-1H-indazole
CID 67799721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide (CID 154880645) is 2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide is O=C(CCl)NCCc1ccc2[nH]ncc2c1.
What is the InChIKey of 2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide?
The InChIKey is GBYRPFQKDQDAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-6-11(16)13-4-3-8-1-2-10-9(5-8)7-14-15-10/h1-2,5,7H,3-4,6H2,(H,13,16)(H,14,15).
What are the key properties of 2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide?
2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide has a molecular weight of 237.69 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 154880645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).