N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide

C24H20BrFN2O2 — CID 52702994

IUPACN-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c1)c1ccc(F)cc1
InChIInChI=1S/C24H20BrFN2O2/c25-19-8-6-18(7-9-19)24(12-13-24)23(30)27-15-16-2-1-3-21(14-16)28-22(29)17-4-10-20(26)11-5-17/h1-11,14H,12-13,15H2,(H,27,30)(H,28,29)
InChIKeyAUXQLJSPNJCUHL-UHFFFAOYSA-N
MW467.34 g/mol
LogP5.19
Rot. Bonds6

About N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide

N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide (PubChem CID 52702994) has the molecular formula C24H20BrFN2O2 and a molecular weight of 467.34 g/mol. Its IUPAC name is N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide
PubChem CID52702994
Molecular FormulaC24H20BrFN2O2
Molecular Weight467.34 g/mol
Exact Mass466.07
IUPAC NameN-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c1)c1ccc(F)cc1
InChIInChI=1S/C24H20BrFN2O2/c25-19-8-6-18(7-9-19)24(12-13-24)23(30)27-15-16-2-1-3-21(14-16)28-22(29)17-4-10-20(26)11-5-17/h1-11,14H,12-13,15H2,(H,27,30)(H,28,29)
InChIKeyAUXQLJSPNJCUHL-UHFFFAOYSA-N
XLogP5.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.34
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
3-bromo-N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]benzamide
CID 55948110
4-fluoro-N-[3-[(2,2,2-trifluoroethylcarbamoylamino)methyl]phenyl]benzamide
CID 47066077
3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide
CID 33205066
N-[3-[[(2-cyclohexylacetyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 55893896
N-(2-amino-2-oxoethyl)-4-[[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]methyl]benzamide
CID 60516608
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821654
4-bromo-N-[3-(chloromethyl)phenyl]benzamide
CID 113270932
N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide
CID 34012584
1-(4-fluorophenyl)-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 60556255

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide (CID 52702994) is N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide is O=C(Nc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide?
The InChIKey is AUXQLJSPNJCUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrFN2O2/c25-19-8-6-18(7-9-19)24(12-13-24)23(30)27-15-16-2-1-3-21(14-16)28-22(29)17-4-10-20(26)11-5-17/h1-11,14H,12-13,15H2,(H,27,30)(H,28,29).
What are the key properties of N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide?
N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide has a molecular weight of 467.34 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 52702994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).