methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate

C18H15ClF3NO3 — CID 51276559

IUPACmethyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C18H15ClF3NO3/c1-26-16(24)10-15(12-7-3-5-9-14(12)19)23-17(25)11-6-2-4-8-13(11)18(20,21)22/h2-9,15H,10H2,1H3,(H,23,25)
InChIKeyWYJBOAHMKCHKFD-UHFFFAOYSA-N
MW385.77 g/mol
LogP4.39
Rot. Bonds5

About methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate

methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate (PubChem CID 51276559) has the molecular formula C18H15ClF3NO3 and a molecular weight of 385.77 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate
PubChem CID51276559
Molecular FormulaC18H15ClF3NO3
Molecular Weight385.77 g/mol
Exact Mass385.07
IUPAC Namemethyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C18H15ClF3NO3/c1-26-16(24)10-15(12-7-3-5-9-14(12)19)23-17(25)11-6-2-4-8-13(11)18(20,21)22/h2-9,15H,10H2,1H3,(H,23,25)
InChIKeyWYJBOAHMKCHKFD-UHFFFAOYSA-N
XLogP4.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-bromobenzoyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256783
methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 51256785
methyl 3-(2-chlorophenyl)-3-[(5-methylthiophene-2-carbonyl)amino]propanoate
CID 51256790
ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 7310515
ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 7045199
methyl (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91018494
methyl 3-(2-chlorophenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 58143336
methyl (3R)-3-(2-chlorophenyl)-3-[[4-[(R)-methylsulfinyl]benzoyl]amino]propanoate
CID 41303542
methyl 3-(2-chlorophenyl)-3-[(4-methylsulfonylbenzoyl)amino]propanoate
CID 17440071
methyl (3S)-3-(2-chlorophenyl)-3-[[4-[(R)-methylsulfinyl]benzoyl]amino]propanoate
CID 41303541
methyl 3-(2-chlorophenyl)-3-(5-methoxypentanoylamino)propanoate
CID 86871718
methyl 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256893

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate (CID 51276559) is methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate is COC(=O)CC(NC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl.
What is the InChIKey of methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate?
The InChIKey is WYJBOAHMKCHKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3NO3/c1-26-16(24)10-15(12-7-3-5-9-14(12)19)23-17(25)11-6-2-4-8-13(11)18(20,21)22/h2-9,15H,10H2,1H3,(H,23,25).
What are the key properties of methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate?
methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate has a molecular weight of 385.77 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate is sourced from PubChem (CID 51276559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).