N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide

C22H25F2N3O — CID 16673637

IUPACN-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N(CCN(C)C)Cc1ccccc1F
InChIInChI=1S/C22H25F2N3O/c1-15-18(19-12-17(23)8-9-21(19)25-15)13-22(28)27(11-10-26(2)3)14-16-6-4-5-7-20(16)24/h4-9,12,25H,10-11,13-14H2,1-3H3
InChIKeyNWBVNJNOJGMMCJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide

N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 16673637) has the molecular formula C22H25F2N3O and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID16673637
Molecular FormulaC22H25F2N3O
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N(CCN(C)C)Cc1ccccc1F
InChIInChI=1S/C22H25F2N3O/c1-15-18(19-12-17(23)8-9-21(19)25-15)13-22(28)27(11-10-26(2)3)14-16-6-4-5-7-20(16)24/h4-9,12,25H,10-11,13-14H2,1-3H3
InChIKeyNWBVNJNOJGMMCJ-UHFFFAOYSA-N
XLogP3.89
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 9931954
CID 9931954
CID 77992
CID 77992
CID 443375
CID 443375
CID 68663
CID 68663
CID 397
CID 397
CID 99652
CID 99652
CID 56935577
CID 56935577
CID 122162
CID 122162
CID 132496
CID 132496
CID 589075
CID 589075
CID 3143286
CID 3143286
CID 9863281
CID 9863281

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 16673637) is N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CCN(C)C)Cc1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is NWBVNJNOJGMMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O/c1-15-18(19-12-17(23)8-9-21(19)25-15)13-22(28)27(11-10-26(2)3)14-16-6-4-5-7-20(16)24/h4-9,12,25H,10-11,13-14H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 16673637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).