N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide

C23H28FN3O — CID 110281594

IUPACN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)cc12
InChIInChI=1S/C23H28FN3O/c1-15-16(2)27(5)22-11-8-18(14-20(15)22)23(28)25-21(12-13-26(3)4)17-6-9-19(24)10-7-17/h6-11,14,21H,12-13H2,1-5H3,(H,25,28)
InChIKeyNMEVFJYRHMQDAV-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.36
Rot. Bonds6

About N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide (PubChem CID 110281594) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide
PubChem CID110281594
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC NameN-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide
SMILESCc1c(C)n(C)c2ccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)cc12
InChIInChI=1S/C23H28FN3O/c1-15-16(2)27(5)22-11-8-18(14-20(15)22)23(28)25-21(12-13-26(3)4)17-6-9-19(24)10-7-17/h6-11,14,21H,12-13H2,1-5H3,(H,25,28)
InChIKeyNMEVFJYRHMQDAV-UHFFFAOYSA-N
XLogP4.36
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethylbenzamide
CID 110281892
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-ethoxybenzamide
CID 110281864
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-propan-2-yloxybenzamide
CID 110281894
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-nitrobenzamide
CID 110281831
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3-methylthiophene-2-carboxamide
CID 110281862
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
CID 110281659
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 110281854
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]benzamide
CID 110281663
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 110281662
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-3,3-dimethylbutanamide
CID 110281888
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 110281714
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-ethylbutanamide
CID 110281896

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide (CID 110281594) is N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide is Cc1c(C)n(C)c2ccc(C(=O)NC(CCN(C)C)c3ccc(F)cc3)cc12.
What is the InChIKey of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide?
The InChIKey is NMEVFJYRHMQDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-15-16(2)27(5)22-11-8-18(14-20(15)22)23(28)25-21(12-13-26(3)4)17-6-9-19(24)10-7-17/h6-11,14,21H,12-13H2,1-5H3,(H,25,28).
What are the key properties of N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide?
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-1,2,3-trimethylindole-5-carboxamide is sourced from PubChem (CID 110281594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).