methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate

C25H25FN2O3 — CID 166434608

IUPACmethyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNC(=O)CN(C)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H25FN2O3/c1-28(17-23(29)27-16-20-10-6-7-11-22(20)25(30)31-2)24(18-8-4-3-5-9-18)19-12-14-21(26)15-13-19/h3-15,24H,16-17H2,1-2H3,(H,27,29)
InChIKeyQHRCUCYZNUOQPH-UHFFFAOYSA-N
MW420.48 g/mol
LogP3.95
Rot. Bonds8

About methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate

methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate (PubChem CID 166434608) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate
PubChem CID166434608
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Namemethyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CNC(=O)CN(C)C(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C25H25FN2O3/c1-28(17-23(29)27-16-20-10-6-7-11-22(20)25(30)31-2)24(18-8-4-3-5-9-18)19-12-14-21(26)15-13-19/h3-15,24H,16-17H2,1-2H3,(H,27,29)
InChIKeyQHRCUCYZNUOQPH-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate with MolForge

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Related Compounds

2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 16609246
methyl 2-[(1-phenylethylamino)methyl]benzoate
CID 43755919
methyl 2-[[[(1S)-1-phenylethyl]amino]methyl]benzoate
CID 81351010
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]acetamide
CID 8693314
N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 78840619
N-(2,6-dichloro-3-methylphenyl)-2-[[(R)-(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 26249409
N-(4-bromo-2-methylphenyl)-2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetamide
CID 16609224
2-[benzhydryl(methyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 8730143
methyl 2-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoate
CID 103922980
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 8730291
2-[methyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913207

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate (CID 166434608) is methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate is COC(=O)c1ccccc1CNC(=O)CN(C)C(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate?
The InChIKey is QHRCUCYZNUOQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-28(17-23(29)27-16-20-10-6-7-11-22(20)25(30)31-2)24(18-8-4-3-5-9-18)19-12-14-21(26)15-13-19/h3-15,24H,16-17H2,1-2H3,(H,27,29).
What are the key properties of methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate?
methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate has a molecular weight of 420.48 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]amino]methyl]benzoate is sourced from PubChem (CID 166434608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).