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

C20H19FN2O2 — CID 113085331

IUPACN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C20H19FN2O2/c1-25-18-5-3-2-4-15(18)19(24)23-12-20(8-9-20)16-11-22-17-10-13(21)6-7-14(16)17/h2-7,10-11,22H,8-9,12H2,1H3,(H,23,24)
InChIKeyQREVLXHCNXEQIB-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.78
Rot. Bonds5

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

N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide (PubChem CID 113085331) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide
PubChem CID113085331
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C20H19FN2O2/c1-25-18-5-3-2-4-15(18)19(24)23-12-20(8-9-20)16-11-22-17-10-13(21)6-7-14(16)17/h2-7,10-11,22H,8-9,12H2,1H3,(H,23,24)
InChIKeyQREVLXHCNXEQIB-UHFFFAOYSA-N
XLogP3.78
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
CID 113085336
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]-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]-1,3-benzodioxole-5-carboxamide
CID 113085355
2-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444105
3-fluoro-N-[[1-(2-methoxyphenyl)cyclobutyl]methyl]benzamide
CID 110444038
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085412
methyl 2-[[1-(6-fluoro-1H-indol-3-yl)cyclopropanecarbonyl]amino]benzoate
CID 113211175
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide (CID 113085331) is N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC1(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide?
The InChIKey is QREVLXHCNXEQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-25-18-5-3-2-4-15(18)19(24)23-12-20(8-9-20)16-11-22-17-10-13(21)6-7-14(16)17/h2-7,10-11,22H,8-9,12H2,1H3,(H,23,24).
What are the key properties of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide?
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide has a molecular weight of 338.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 113085331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).