methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate

C16H15ClFNO2 — CID 132517125

IUPACmethyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate
SMILESCOC(=O)CNC(c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C16H15ClFNO2/c1-21-15(20)10-19-16(11-6-8-12(18)9-7-11)13-4-2-3-5-14(13)17/h2-9,16,19H,10H2,1H3
InChIKeyVACLBTSGIFXVNF-UHFFFAOYSA-N
MW307.75 g/mol
LogP3.33
Rot. Bonds5

About methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate

methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate (PubChem CID 132517125) has the molecular formula C16H15ClFNO2 and a molecular weight of 307.75 g/mol. Its IUPAC name is methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate
PubChem CID132517125
Molecular FormulaC16H15ClFNO2
Molecular Weight307.75 g/mol
Exact Mass307.08
IUPAC Namemethyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate
SMILESCOC(=O)CNC(c1ccc(F)cc1)c1ccccc1Cl
InChIInChI=1S/C16H15ClFNO2/c1-21-15(20)10-19-16(11-6-8-12(18)9-7-11)13-4-2-3-5-14(13)17/h2-9,16,19H,10H2,1H3
InChIKeyVACLBTSGIFXVNF-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]amino]acetate
CID 118372316
N-((4-Chlorophenyl)methyl)glycine ethyl ester
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CID 15280940
2-{[(2-Chloro-6-fluorophenyl)methyl]amino}propanoic acid hydrochloride
CID 42935506
Methyl 2-(((2-chlorophenyl)methyl)amino)acetate hydrochloride
CID 45791584
Methyl 2-{[(3-chlorophenyl)methyl]amino}acetate hydrochloride
CID 170913859
Methyl 2-[[(4-fluorophenyl)-phenylmethyl]amino]acetate
CID 43190784
Methyl 2-[[(2-fluorophenyl)-(3-methylphenyl)methyl]amino]acetate
CID 135064434
Methyl 2-[[(2-fluorophenyl)-(4-fluorophenyl)methyl]amino]acetate
CID 135064435
Ethyl 2-[(diphenylmethyl)amino]acetate
CID 22080574
methyl (2S)-2-[(3-chloro-4-fluorophenyl)methylamino]-3,3-dimethylbutanoate
CID 57623613
2-(3-Chloro-4-fluoro-benzylamino)-3,3-dimethyl-butyric acid methyl ester
CID 67101034

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate?
The IUPAC name of methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate (CID 132517125) is methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate is COC(=O)CNC(c1ccc(F)cc1)c1ccccc1Cl.
What is the InChIKey of methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate?
The InChIKey is VACLBTSGIFXVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2/c1-21-15(20)10-19-16(11-6-8-12(18)9-7-11)13-4-2-3-5-14(13)17/h2-9,16,19H,10H2,1H3.
What are the key properties of methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate?
methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate has a molecular weight of 307.75 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2-chlorophenyl)-(4-fluorophenyl)methyl]amino]acetate is sourced from PubChem (CID 132517125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).