4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide

C20H21FN2O — CID 151038439

IUPAC4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide
SMILESCCCCCNC(=O)c1cc2c(-c3ccc(F)cc3)cccc2[nH]1
InChIInChI=1S/C20H21FN2O/c1-2-3-4-12-22-20(24)19-13-17-16(6-5-7-18(17)23-19)14-8-10-15(21)11-9-14/h5-11,13,23H,2-4,12H2,1H3,(H,22,24)
InChIKeyMBOKQBBQOIFKQP-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.89
Rot. Bonds6

About 4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide

4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide (PubChem CID 151038439) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide
PubChem CID151038439
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide
SMILESCCCCCNC(=O)c1cc2c(-c3ccc(F)cc3)cccc2[nH]1
InChIInChI=1S/C20H21FN2O/c1-2-3-4-12-22-20(24)19-13-17-16(6-5-7-18(17)23-19)14-8-10-15(21)11-9-14/h5-11,13,23H,2-4,12H2,1H3,(H,22,24)
InChIKeyMBOKQBBQOIFKQP-UHFFFAOYSA-N
XLogP4.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S)-5-(carboxyamino)-1-[[4-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]pentan-2-yl]carbamic acid
CID 135324132
3-fluoro-N-octadecylbenzamide
CID 91711883
N-[(2R,3S)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 172948494
methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
CID 47153631
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide
CID 51098622
2,5-difluoro-N-undecylbenzamide
CID 91717430
4-(4-ethoxyphenyl)-N-piperidin-4-yl-1H-indole-2-carboxamide
CID 66841712
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid
CID 66841435
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
2,3-difluoro-N-pentylbenzamide
CID 62649821

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide (CID 151038439) is 4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide is CCCCCNC(=O)c1cc2c(-c3ccc(F)cc3)cccc2[nH]1.
What is the InChIKey of 4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide?
The InChIKey is MBOKQBBQOIFKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-2-3-4-12-22-20(24)19-13-17-16(6-5-7-18(17)23-19)14-8-10-15(21)11-9-14/h5-11,13,23H,2-4,12H2,1H3,(H,22,24).
What are the key properties of 4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide?
4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide has a molecular weight of 324.40 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-pentyl-1H-indole-2-carboxamide is sourced from PubChem (CID 151038439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).