N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide

C21H21FN2O3 — CID 113085336

IUPACN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H21FN2O3/c1-26-17-4-3-5-18(27-2)19(17)20(25)24-12-21(8-9-21)15-11-23-16-10-13(22)6-7-14(15)16/h3-7,10-11,23H,8-9,12H2,1-2H3,(H,24,25)
InChIKeyXHKOJWFCXUNDRU-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.79
Rot. Bonds6

About N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide

N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide (PubChem CID 113085336) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
PubChem CID113085336
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C21H21FN2O3/c1-26-17-4-3-5-18(27-2)19(17)20(25)24-12-21(8-9-21)15-11-23-16-10-13(22)6-7-14(15)16/h3-7,10-11,23H,8-9,12H2,1-2H3,(H,24,25)
InChIKeyXHKOJWFCXUNDRU-UHFFFAOYSA-N
XLogP3.79
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide
CID 113085331
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085321
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085349
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 113085355
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113085398
3-fluoro-N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265812
1-(6-fluoro-1H-indol-3-yl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 113211157
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085412
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038
4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085038
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 113085389

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide (CID 113085336) is N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC1(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide?
The InChIKey is XHKOJWFCXUNDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-26-17-4-3-5-18(27-2)19(17)20(25)24-12-21(8-9-21)15-11-23-16-10-13(22)6-7-14(15)16/h3-7,10-11,23H,8-9,12H2,1-2H3,(H,24,25).
What are the key properties of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide?
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide has a molecular weight of 368.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 113085336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).