4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide

C24H28BrN3O3 — CID 60549241

IUPAC4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1)C1CCCCC1
InChIInChI=1S/C24H28BrN3O3/c1-28(21-5-3-2-4-6-21)24(31)18-9-13-20(14-10-18)27-22(29)15-16-26-23(30)17-7-11-19(25)12-8-17/h7-14,21H,2-6,15-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyVCMKBOYBTIUGDT-UHFFFAOYSA-N
MW486.41 g/mol
LogP4.61
Rot. Bonds7

About 4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide

4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide (PubChem CID 60549241) has the molecular formula C24H28BrN3O3 and a molecular weight of 486.41 g/mol. Its IUPAC name is 4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide
PubChem CID60549241
Molecular FormulaC24H28BrN3O3
Molecular Weight486.41 g/mol
Exact Mass485.13
IUPAC Name4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1)C1CCCCC1
InChIInChI=1S/C24H28BrN3O3/c1-28(21-5-3-2-4-6-21)24(31)18-9-13-20(14-10-18)27-22(29)15-16-26-23(30)17-7-11-19(25)12-8-17/h7-14,21H,2-6,15-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyVCMKBOYBTIUGDT-UHFFFAOYSA-N
XLogP4.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973
N-cyclohexyl-4-(3-cyclopentylsulfonylpropanoylamino)-N-methylbenzamide
CID 55920389
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 26906866
4-bromo-N-[3-(cyclooctylamino)-3-oxopropyl]benzamide
CID 24635141
N-cyclohexyl-4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide;hydrochloride
CID 119743408
N-cyclohexyl-4-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55978627
4-bromo-N-[3-(2-cyclohexylethylamino)-3-oxopropyl]benzamide
CID 46400985
4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
CID 55796575
4-bromo-N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]benzamide
CID 4805536
4-bromo-N-[3-[methyl(piperidin-4-yl)amino]-3-oxopropyl]benzamide
CID 119443848
N-[3-(4-bromoanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2598747

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide (CID 60549241) is 4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1)C1CCCCC1.
What is the InChIKey of 4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide?
The InChIKey is VCMKBOYBTIUGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BrN3O3/c1-28(21-5-3-2-4-6-21)24(31)18-9-13-20(14-10-18)27-22(29)15-16-26-23(30)17-7-11-19(25)12-8-17/h7-14,21H,2-6,15-16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide?
4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide has a molecular weight of 486.41 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-bromobenzoyl)amino]propanoylamino]-N-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 60549241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).