methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate

C17H15ClFNO3 — CID 110493573

IUPACmethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H15ClFNO3/c1-23-17(22)14(10-11-6-3-2-4-7-11)20-16(21)15-12(18)8-5-9-13(15)19/h2-9,14H,10H2,1H3,(H,20,21)
InChIKeySSTSCVQTBMQLFO-UHFFFAOYSA-N
MW335.76 g/mol
LogP2.99
Rot. Bonds5

About methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate

methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate (PubChem CID 110493573) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate
PubChem CID110493573
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Namemethyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C17H15ClFNO3/c1-23-17(22)14(10-11-6-3-2-4-7-11)20-16(21)15-12(18)8-5-9-13(15)19/h2-9,14H,10H2,1H3,(H,20,21)
InChIKeySSTSCVQTBMQLFO-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]benzoic acid;ethane
CID 143677069
propan-2-yl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-phenylpropanoate
CID 66646632
methyl (2S)-3-[4-(bromomethyl)phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 59665346
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-[4-(7-fluoro-3-methyl-2-oxobenzimidazol-1-yl)phenyl]propanoate
CID 174152858
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanoic acid
CID 42255188
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl (2S)-2-[[2-(aminomethyl)-6-chlorobenzoyl]amino]-3-(4-aminophenyl)propanoate
CID 175234743
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-formylphenyl)phenyl]propanoate
CID 54369932
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanedioic acid
CID 113226112
methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate;methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate
CID 158749788

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate (CID 110493573) is methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is SSTSCVQTBMQLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-23-17(22)14(10-11-6-3-2-4-7-11)20-16(21)15-12(18)8-5-9-13(15)19/h2-9,14H,10H2,1H3,(H,20,21).
What are the key properties of methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate?
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 335.76 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-6-fluorobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 110493573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).