3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide

C14H15BrFNO — CID 103839324

IUPAC3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
SMILESO=C(NCC1(C2CC2)CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNO/c15-11-7-9(1-4-12(11)16)13(18)17-8-14(5-6-14)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,17,18)
InChIKeyJPSSONIUHGLILD-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.51
Rot. Bonds4

About 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide

3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide (PubChem CID 103839324) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
PubChem CID103839324
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC Name3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide
SMILESO=C(NCC1(C2CC2)CC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNO/c15-11-7-9(1-4-12(11)16)13(18)17-8-14(5-6-14)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,17,18)
InChIKeyJPSSONIUHGLILD-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107952526
1-[[(3-bromo-4-fluorobenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791307
3-bromo-4-fluoro-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484646
3-bromo-5-chloro-N-[(1-cyclopropylcyclopropyl)methyl]benzamide
CID 114096121
2-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-3-fluorobenzamide
CID 114096122
N-[(1-cyclopropylcyclopropyl)methyl]-3,5-dihydroxybenzamide
CID 113355829
N-[(1-cyclopropylcyclopropyl)methyl]-1H-indole-5-carboxamide
CID 103839267
4-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 103839298
3-bromo-N-[(4-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 114147917
3-bromo-N-(2-cyclohexylethyl)-4-fluorobenzamide
CID 107951613
3-bromo-4-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 113244888
3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide
CID 103706830

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide (CID 103839324) is 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide is O=C(NCC1(C2CC2)CC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide?
The InChIKey is JPSSONIUHGLILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c15-11-7-9(1-4-12(11)16)13(18)17-8-14(5-6-14)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,17,18).
What are the key properties of 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide?
3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide has a molecular weight of 312.18 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-cyclopropylcyclopropyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 103839324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).