N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide

C24H30FN3O2 — CID 55802521

IUPACN-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1
InChIInChI=1S/C24H30FN3O2/c1-17-8-6-7-11-20(17)24(30)26-15-14-23(29)27-18-12-13-22(21(25)16-18)28(2)19-9-4-3-5-10-19/h6-8,11-13,16,19H,3-5,9-10,14-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVNHONMGOGHTUPO-UHFFFAOYSA-N
MW411.52 g/mol
LogP4.66
Rot. Bonds7

About N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide

N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 55802521) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide
PubChem CID55802521
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC NameN-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1
InChIInChI=1S/C24H30FN3O2/c1-17-8-6-7-11-20(17)24(30)26-15-14-23(29)27-18-12-13-22(21(25)16-18)28(2)19-9-4-3-5-10-19/h6-8,11-13,16,19H,3-5,9-10,14-15H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVNHONMGOGHTUPO-UHFFFAOYSA-N
XLogP4.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
N-[3-[4-bromo-3-(trifluoromethyl)anilino]-3-oxopropyl]-2-methylbenzamide
CID 26921450
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 27160887
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55802204
N-[3-(cycloheptylamino)-3-oxopropyl]-2-methylbenzamide
CID 9082220
N-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24632581
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511329
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanamide
CID 55802198
2-methyl-N-[3-oxo-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propyl]benzamide
CID 26017533
methyl 4-[3-[(2-methylbenzoyl)amino]propanoylamino]benzoate
CID 26688492
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(3-ethyl-4-hydroxypyrrolidin-1-yl)-2-oxoacetamide
CID 146086780

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide (CID 55802521) is N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1.
What is the InChIKey of N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is VNHONMGOGHTUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-17-8-6-7-11-20(17)24(30)26-15-14-23(29)27-18-12-13-22(21(25)16-18)28(2)19-9-4-3-5-10-19/h6-8,11-13,16,19H,3-5,9-10,14-15H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 411.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[cyclohexyl(methyl)amino]-3-fluoroanilino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 55802521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).