4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

C20H24FN3O2 — CID 37215840

IUPAC4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NCc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C20H24FN3O2/c1-14-10-16(6-9-18(14)21)11-23-19(25)13-24(3)12-15-4-7-17(8-5-15)20(26)22-2/h4-10H,11-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyWEVPOSNPNBCDDB-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.24
Rot. Bonds7

About 4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide

4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 37215840) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID37215840
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)NCc2ccc(F)c(C)c2)cc1
InChIInChI=1S/C20H24FN3O2/c1-14-10-16(6-9-18(14)21)11-23-19(25)13-24(3)12-15-4-7-17(8-5-15)20(26)22-2/h4-10H,11-13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyWEVPOSNPNBCDDB-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
4-[[[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123111
4-[[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123087
N-methyl-4-[[methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]methyl]benzamide
CID 9125843
N-[(4-fluoro-3-methylphenyl)methyl]-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetamide
CID 35057961
2-[(4-ethoxyphenyl)methyl-methylamino]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 41378355
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009
N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
4-[[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37212891
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
4-[[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124829
2-[1-cyclopropylethyl(methyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 134046292

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide (CID 37215840) is 4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)CC(=O)NCc2ccc(F)c(C)c2)cc1.
What is the InChIKey of 4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is WEVPOSNPNBCDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-14-10-16(6-9-18(14)21)11-23-19(25)13-24(3)12-15-4-7-17(8-5-15)20(26)22-2/h4-10H,11-13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 357.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 37215840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).