N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide

C21H22FN3O2 — CID 108964965

IUPACN-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H22FN3O2/c1-21(2,20(27)25-16-9-7-15(22)8-10-16)19(26)23-12-11-14-13-24-18-6-4-3-5-17(14)18/h3-10,13,24H,11-12H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyFJWUHUFNSLPCEN-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.63
Rot. Bonds6

About N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide

N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108964965) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide
PubChem CID108964965
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide
SMILESCC(C)(C(=O)NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C21H22FN3O2/c1-21(2,20(27)25-16-9-7-15(22)8-10-16)19(26)23-12-11-14-13-24-18-6-4-3-5-17(14)18/h3-10,13,24H,11-12H2,1-2H3,(H,23,26)(H,25,27)
InChIKeyFJWUHUFNSLPCEN-UHFFFAOYSA-N
XLogP3.63
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108961978
2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113209917
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002483
1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 20757249
N-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109237714
N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
CID 112984004
N'-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 7585548
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978264
N-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109189607
N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352217

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide (CID 108964965) is N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide is CC(C)(C(=O)NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is FJWUHUFNSLPCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-21(2,20(27)25-16-9-7-15(22)8-10-16)19(26)23-12-11-14-13-24-18-6-4-3-5-17(14)18/h3-10,13,24H,11-12H2,1-2H3,(H,23,26)(H,25,27).
What are the key properties of N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide?
N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 367.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108964965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).