N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide

C25H29FN2O2 — CID 42803998

IUPACN-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide
SMILESCCCn1c(C(=O)NC2CCCCC2)cc2c(OCc3ccccc3F)cccc21
InChIInChI=1S/C25H29FN2O2/c1-2-15-28-22-13-8-14-24(30-17-18-9-6-7-12-21(18)26)20(22)16-23(28)25(29)27-19-10-4-3-5-11-19/h6-9,12-14,16,19H,2-5,10-11,15,17H2,1H3,(H,27,29)
InChIKeyMIAVMBYZSWFWSB-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.83
Rot. Bonds7

About N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide

N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide (PubChem CID 42803998) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide
PubChem CID42803998
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC NameN-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide
SMILESCCCn1c(C(=O)NC2CCCCC2)cc2c(OCc3ccccc3F)cccc21
InChIInChI=1S/C25H29FN2O2/c1-2-15-28-22-13-8-14-24(30-17-18-9-6-7-12-21(18)26)20(22)16-23(28)25(29)27-19-10-4-3-5-11-19/h6-9,12-14,16,19H,2-5,10-11,15,17H2,1H3,(H,27,29)
InChIKeyMIAVMBYZSWFWSB-UHFFFAOYSA-N
XLogP5.83
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)-1-propylindole-2-carboxamide
CID 42803999
4-phenylmethoxy-N-(2-piperidin-1-ylethyl)-1-propylindole-2-carboxamide
CID 42804025
N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide
CID 42807240
4-[(2-fluorophenyl)methoxy]-1-(3-methylbut-2-enyl)indole-2-carboxylic acid
CID 42666942
N-cyclohexyl-2-[(2,3-dimethoxyphenoxy)methyl]benzamide
CID 91016522
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-fluorophenyl)methoxy]-1-(3-methylbut-2-enyl)indole-2-carboxamide
CID 42804823
(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone
CID 42666955
4-[(2-fluorophenyl)methoxy]-N-(furan-2-ylmethyl)-1-prop-2-enylindole-2-carboxamide
CID 42804635
4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
CID 82069752
1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide
CID 42804017
1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
CID 42805833
8-[(2-fluorophenyl)methoxy]-4-(3-methoxypropoxy)-N-[(3R)-1-propan-2-ylpiperidin-3-yl]quinoline-2-carboxamide
CID 71610405

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide (CID 42803998) is N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide is CCCn1c(C(=O)NC2CCCCC2)cc2c(OCc3ccccc3F)cccc21.
What is the InChIKey of N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide?
The InChIKey is MIAVMBYZSWFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-2-15-28-22-13-8-14-24(30-17-18-9-6-7-12-21(18)26)20(22)16-23(28)25(29)27-19-10-4-3-5-11-19/h6-9,12-14,16,19H,2-5,10-11,15,17H2,1H3,(H,27,29).
What are the key properties of N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide?
N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide is sourced from PubChem (CID 42803998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).