[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate

C19H24F2N2O4 — CID 55376022

IUPAC[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)NCC1CCCCC1
InChIInChI=1S/C19H24F2N2O4/c1-12(18(25)22-10-13-5-3-2-4-6-13)27-17(24)11-23-19(26)15-8-7-14(20)9-16(15)21/h7-9,12-13H,2-6,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyFPMDVBYSMIDNFA-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.32
Rot. Bonds7

About [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate

[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate (PubChem CID 55376022) has the molecular formula C19H24F2N2O4 and a molecular weight of 382.41 g/mol. Its IUPAC name is [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate
PubChem CID55376022
Molecular FormulaC19H24F2N2O4
Molecular Weight382.41 g/mol
Exact Mass382.17
IUPAC Name[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)NCC1CCCCC1
InChIInChI=1S/C19H24F2N2O4/c1-12(18(25)22-10-13-5-3-2-4-6-13)27-17(24)11-23-19(26)15-8-7-14(20)9-16(15)21/h7-9,12-13H,2-6,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyFPMDVBYSMIDNFA-UHFFFAOYSA-N
XLogP2.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate with MolForge

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Related Compounds

[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854508
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 55375937
[1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 55375856
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95320812
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
N-[1-(cyanomethylamino)-3-cyclohexyl-1-oxopropan-2-yl]-2,4-difluorobenzamide
CID 18421751
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-amino-4-chlorobenzoate
CID 7508986
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 7750592
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 11938439
N-[2-(cycloheptylamino)ethyl]-2,4-difluorobenzamide
CID 78960880

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate?
The IUPAC name of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate (CID 55376022) is [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate.
What is the SMILES notation for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate?
The canonical SMILES for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate is CC(OC(=O)CNC(=O)c1ccc(F)cc1F)C(=O)NCC1CCCCC1.
What is the InChIKey of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate?
The InChIKey is FPMDVBYSMIDNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O4/c1-12(18(25)22-10-13-5-3-2-4-6-13)27-17(24)11-23-19(26)15-8-7-14(20)9-16(15)21/h7-9,12-13H,2-6,10-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate?
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate has a molecular weight of 382.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[(2,4-difluorobenzoyl)amino]acetate is sourced from PubChem (CID 55376022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).