N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide

C13H17ClN2O2 — CID 11737271

IUPACN-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1cc2c(cc1Cl)NCC2CCNC(C)=O
InChIInChI=1S/C13H17ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-6,9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeySVVAZPMMGMYUJF-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide

N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide (PubChem CID 11737271) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
PubChem CID11737271
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1cc2c(cc1Cl)NCC2CCNC(C)=O
InChIInChI=1S/C13H17ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-6,9,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeySVVAZPMMGMYUJF-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide
CID 23283706
3-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxylic acid
CID 71126385
N-[(6,7-dimethoxy-1,2,3,4-tetrahydroquinolin-4-yl)methyl]acetamide
CID 11780382
N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 158773129
2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 166138549
[2-[2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 142653052
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
N-[2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]ethyl]acetamide
CID 3846042
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methoxy-2-methylpropanamide
CID 103019631
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101
2-(5,6-dimethoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine;ethene;molecular hydrogen
CID 169244307
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide (CID 11737271) is N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide is COc1cc2c(cc1Cl)NCC2CCNC(C)=O.
What is the InChIKey of N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is SVVAZPMMGMYUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-6,9,16H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide?
N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 268.74 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 11737271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).