N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide

C21H24FN3O — CID 57345765

IUPACN-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H24FN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
InChIKeyMUYUEZAKMLKZSO-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.91
Rot. Bonds6

About N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide

N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide (PubChem CID 57345765) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide
PubChem CID57345765
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(F)cc12
InChIInChI=1S/C21H24FN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26)
InChIKeyMUYUEZAKMLKZSO-UHFFFAOYSA-N
XLogP3.91
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide (CID 57345765) is N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide is CCc1c(C(=O)NCCc2ccc(N(C)C)cc2)[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is MUYUEZAKMLKZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-4-17-18-13-15(22)7-10-19(18)24-20(17)21(26)23-12-11-14-5-8-16(9-6-14)25(2)3/h5-10,13,24H,4,11-12H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide?
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]ethyl]-3-ethyl-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 57345765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).