4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide

C21H23BrN2O2 — CID 50821654

IUPAC4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCC(C)CNC(=O)C1(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C21H23BrN2O2/c1-14(2)13-23-20(26)21(11-12-21)16-5-9-18(10-6-16)24-19(25)15-3-7-17(22)8-4-15/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyJWAZBBCIOLFPFM-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.51
Rot. Bonds6

About 4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide

4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide (PubChem CID 50821654) has the molecular formula C21H23BrN2O2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
PubChem CID50821654
Molecular FormulaC21H23BrN2O2
Molecular Weight415.33 g/mol
Exact Mass414.09
IUPAC Name4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCC(C)CNC(=O)C1(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C21H23BrN2O2/c1-14(2)13-23-20(26)21(11-12-21)16-5-9-18(10-6-16)24-19(25)15-3-7-17(22)8-4-15/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyJWAZBBCIOLFPFM-UHFFFAOYSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.51
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
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 46384158
4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821548
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
N-[4-[1-(3-methylbutylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384098
N-[4-[1-(propylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821604
4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821647
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
N-[4-[1-(ethylcarbamoyl)cyclobutyl]phenyl]-4-methylbenzamide
CID 46384112

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide (CID 50821654) is 4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide is CC(C)CNC(=O)C1(c2ccc(NC(=O)c3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of 4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide?
The InChIKey is JWAZBBCIOLFPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O2/c1-14(2)13-23-20(26)21(11-12-21)16-5-9-18(10-6-16)24-19(25)15-3-7-17(22)8-4-15/h3-10,14H,11-13H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide?
4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide has a molecular weight of 415.33 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 50821654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).