methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate

C17H15ClFNO3 — CID 51256785

IUPACmethyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C17H15ClFNO3/c1-23-16(21)10-15(13-4-2-3-5-14(13)18)20-17(22)11-6-8-12(19)9-7-11/h2-9,15H,10H2,1H3,(H,20,22)
InChIKeyPJISANQDHVOGHN-UHFFFAOYSA-N
MW335.76 g/mol
LogP3.51
Rot. Bonds5

About methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate

methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate (PubChem CID 51256785) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
PubChem CID51256785
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Namemethyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C17H15ClFNO3/c1-23-16(21)10-15(13-4-2-3-5-14(13)18)20-17(22)11-6-8-12(19)9-7-11/h2-9,15H,10H2,1H3,(H,20,22)
InChIKeyPJISANQDHVOGHN-UHFFFAOYSA-N
XLogP3.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3R)-3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate
CID 7045197
methyl (3R)-3-(2-chlorophenyl)-3-[[4-[(R)-methylsulfinyl]benzoyl]amino]propanoate
CID 41303542
methyl (3S)-3-(2-chlorophenyl)-3-[[4-[(R)-methylsulfinyl]benzoyl]amino]propanoate
CID 41303541
methyl 3-(2-chlorophenyl)-3-[(4-methylsulfonylbenzoyl)amino]propanoate
CID 17440071
methyl 3-(2-chlorophenyl)-3-[3-(4-fluorophenyl)butanoylamino]propanoate
CID 55925524
methyl 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256893
methyl 3-(2-chlorophenyl)-3-[(2-chloroquinoline-6-carbonyl)amino]propanoate
CID 55821714
methyl 3-[(2-bromobenzoyl)amino]-3-(2-chlorophenyl)propanoate
CID 51256783
methyl (3S)-3-(2-chlorophenyl)-3-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoate
CID 42101784
methyl 3-(2-chlorophenyl)-3-[[2-(trifluoromethyl)benzoyl]amino]propanoate
CID 51276559
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757885
methyl 3-(2-chlorophenyl)-3-[(3-cyanobenzoyl)amino]propanoate
CID 51256847

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate?
The IUPAC name of methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate (CID 51256785) is methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate is COC(=O)CC(NC(=O)c1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate?
The InChIKey is PJISANQDHVOGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-23-16(21)10-15(13-4-2-3-5-14(13)18)20-17(22)11-6-8-12(19)9-7-11/h2-9,15H,10H2,1H3,(H,20,22).
What are the key properties of methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate?
methyl 3-(2-chlorophenyl)-3-[(4-fluorobenzoyl)amino]propanoate has a molecular weight of 335.76 g/mol, XLogP of 3.51, 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-[(4-fluorobenzoyl)amino]propanoate is sourced from PubChem (CID 51256785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).