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

C19H17FN2O — CID 113085321

IUPACN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(c2c[nH]c3cc(F)ccc23)CC1)c1ccccc1
InChIInChI=1S/C19H17FN2O/c20-14-6-7-15-16(11-21-17(15)10-14)19(8-9-19)12-22-18(23)13-4-2-1-3-5-13/h1-7,10-11,21H,8-9,12H2,(H,22,23)
InChIKeyQWUTVJQMYZNVII-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.77
Rot. Bonds4

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

N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide (PubChem CID 113085321) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
PubChem CID113085321
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC NameN-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(c2c[nH]c3cc(F)ccc23)CC1)c1ccccc1
InChIInChI=1S/C19H17FN2O/c20-14-6-7-15-16(11-21-17(15)10-14)19(8-9-19)12-22-18(23)13-4-2-1-3-5-13/h1-7,10-11,21H,8-9,12H2,(H,22,23)
InChIKeyQWUTVJQMYZNVII-UHFFFAOYSA-N
XLogP3.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084670
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide
CID 113085331
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]-1,3-benzodioxole-5-carboxamide
CID 113085355
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085349
4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085038
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113084707
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113085407
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
1-(6-fluoro-1H-indol-3-yl)-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 113211109
4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084702

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The IUPAC name of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide (CID 113085321) is N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The canonical SMILES for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide is O=C(NCC1(c2c[nH]c3cc(F)ccc23)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The InChIKey is QWUTVJQMYZNVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-14-6-7-15-16(11-21-17(15)10-14)19(8-9-19)12-22-18(23)13-4-2-1-3-5-13/h1-7,10-11,21H,8-9,12H2,(H,22,23).
What are the key properties of N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide has a molecular weight of 308.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 113085321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).