N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

C24H27FN2O4 — CID 60514945

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NCC3(c4ccc(F)cc4)CCCC3)[nH]c2c1OC
InChIInChI=1S/C24H27FN2O4/c1-29-19-13-20(30-2)22(31-3)21-17(19)12-18(27-21)23(28)26-14-24(10-4-5-11-24)15-6-8-16(25)9-7-15/h6-9,12-13,27H,4-5,10-11,14H2,1-3H3,(H,26,28)
InChIKeyIPQFPHPTMMQHLK-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.57
Rot. Bonds7

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 60514945) has the molecular formula C24H27FN2O4 and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID60514945
Molecular FormulaC24H27FN2O4
Molecular Weight426.49 g/mol
Exact Mass426.20
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)NCC3(c4ccc(F)cc4)CCCC3)[nH]c2c1OC
InChIInChI=1S/C24H27FN2O4/c1-29-19-13-20(30-2)22(31-3)21-17(19)12-18(27-21)23(28)26-14-24(10-4-5-11-24)15-6-8-16(25)9-7-15/h6-9,12-13,27H,4-5,10-11,14H2,1-3H3,(H,26,28)
InChIKeyIPQFPHPTMMQHLK-UHFFFAOYSA-N
XLogP4.57
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-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-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91774273
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279
(E)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 1322060
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-5-methoxybenzamide
CID 112835530
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377022
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide;hydrochloride
CID 119761184
3-fluoro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265593
1-ethyl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111378017

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 60514945) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)NCC3(c4ccc(F)cc4)CCCC3)[nH]c2c1OC.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is IPQFPHPTMMQHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4/c1-29-19-13-20(30-2)22(31-3)21-17(19)12-18(27-21)23(28)26-14-24(10-4-5-11-24)15-6-8-16(25)9-7-15/h6-9,12-13,27H,4-5,10-11,14H2,1-3H3,(H,26,28).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 426.49 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 60514945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).