4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide

C19H16BrFN2O — CID 113085038

IUPAC4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(c2c[nH]c3ccc(F)cc23)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrFN2O/c20-13-3-1-12(2-4-13)18(24)23-11-19(7-8-19)16-10-22-17-6-5-14(21)9-15(16)17/h1-6,9-10,22H,7-8,11H2,(H,23,24)
InChIKeyVLOJTAFWQZTTKZ-UHFFFAOYSA-N
MW387.25 g/mol
LogP4.53
Rot. Bonds4

About 4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide

4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide (PubChem CID 113085038) has the molecular formula C19H16BrFN2O and a molecular weight of 387.25 g/mol. Its IUPAC name is 4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
PubChem CID113085038
Molecular FormulaC19H16BrFN2O
Molecular Weight387.25 g/mol
Exact Mass386.04
IUPAC Name4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(c2c[nH]c3ccc(F)cc23)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H16BrFN2O/c20-13-3-1-12(2-4-13)18(24)23-11-19(7-8-19)16-10-22-17-6-5-14(21)9-15(16)17/h1-6,9-10,22H,7-8,11H2,(H,23,24)
InChIKeyVLOJTAFWQZTTKZ-UHFFFAOYSA-N
XLogP4.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.25
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085321
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 113085355
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084670
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
CID 113085086
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113085087
3,4-dimethoxy-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085241
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
CID 113085336
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxybenzamide
CID 113085331
4-(dimethylsulfamoyl)-N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113084702
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide (CID 113085038) is 4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide is O=C(NCC1(c2c[nH]c3ccc(F)cc23)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
The InChIKey is VLOJTAFWQZTTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN2O/c20-13-3-1-12(2-4-13)18(24)23-11-19(7-8-19)16-10-22-17-6-5-14(21)9-15(16)17/h1-6,9-10,22H,7-8,11H2,(H,23,24).
What are the key properties of 4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide?
4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide has a molecular weight of 387.25 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 113085038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).