N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

C19H17Cl2FN2O — CID 113211872

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2FN2O/c1-11-15(16-9-14(22)4-5-18(16)24-11)10-19(25)23-7-6-12-2-3-13(20)8-17(12)21/h2-5,8-9,24H,6-7,10H2,1H3,(H,23,25)
InChIKeyAXMBLELTURGIKN-UHFFFAOYSA-N
MW379.26 g/mol
LogP4.82
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 113211872) has the molecular formula C19H17Cl2FN2O and a molecular weight of 379.26 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID113211872
Molecular FormulaC19H17Cl2FN2O
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2FN2O/c1-11-15(16-9-14(22)4-5-18(16)24-11)10-19(25)23-7-6-12-2-3-13(20)8-17(12)21/h2-5,8-9,24H,6-7,10H2,1H3,(H,23,25)
InChIKeyAXMBLELTURGIKN-UHFFFAOYSA-N
XLogP4.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 113211952
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 113085879
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 91833579
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
CID 113206229
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31956483
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31908743

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 113211872) is N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is AXMBLELTURGIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O/c1-11-15(16-9-14(22)4-5-18(16)24-11)10-19(25)23-7-6-12-2-3-13(20)8-17(12)21/h2-5,8-9,24H,6-7,10H2,1H3,(H,23,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 379.26 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 113211872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).