N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide

C23H25FN4O2 — CID 56566381

IUPACN-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)Cn1ccc2cc(NC(=O)N3CCCC3c3ccc(F)cc3)ccc21
InChIInChI=1S/C23H25FN4O2/c1-26(2)22(29)15-27-13-11-17-14-19(9-10-20(17)27)25-23(30)28-12-3-4-21(28)16-5-7-18(24)8-6-16/h5-11,13-14,21H,3-4,12,15H2,1-2H3,(H,25,30)
InChIKeyWTGZDKFDUJQOQL-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.24
Rot. Bonds4

About N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide

N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 56566381) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID56566381
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)Cn1ccc2cc(NC(=O)N3CCCC3c3ccc(F)cc3)ccc21
InChIInChI=1S/C23H25FN4O2/c1-26(2)22(29)15-27-13-11-17-14-19(9-10-20(17)27)25-23(30)28-12-3-4-21(28)16-5-7-18(24)8-6-16/h5-11,13-14,21H,3-4,12,15H2,1-2H3,(H,25,30)
InChIKeyWTGZDKFDUJQOQL-UHFFFAOYSA-N
XLogP4.24
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[[2-methoxyethyl(methyl)carbamoyl]amino]indol-1-yl]-N,N-dimethylacetamide
CID 56782639
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2R)-2-methyl-N-[1-(2-methylpropyl)indol-5-yl]piperidine-1-carboxamide
CID 97092328
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]cyclohexanecarboxamide
CID 47089802
2-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 50746934
N-[1-[2-(diethylamino)-2-oxoethyl]indol-5-yl]-4-propoxyazepane-1-carboxamide
CID 86900794
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)indol-5-yl]morpholine-4-carboxamide
CID 56527681
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 51694814
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856304

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide (CID 56566381) is N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide is CN(C)C(=O)Cn1ccc2cc(NC(=O)N3CCCC3c3ccc(F)cc3)ccc21.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is WTGZDKFDUJQOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-26(2)22(29)15-27-13-11-17-14-19(9-10-20(17)27)25-23(30)28-12-3-4-21(28)16-5-7-18(24)8-6-16/h5-11,13-14,21H,3-4,12,15H2,1-2H3,(H,25,30).
What are the key properties of N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide?
N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-oxoethyl]indol-5-yl]-2-(4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 56566381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).