methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate

C15H12ClFN2O3 — CID 97061708

IUPACmethyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate
SMILESCOC(=O)[C@H](NC(=O)c1cccnc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H12ClFN2O3/c1-22-15(21)13(9-4-5-11(16)12(17)7-9)19-14(20)10-3-2-6-18-8-10/h2-8,13H,1H3,(H,19,20)/t13-/m1/s1
InChIKeyOEVWTQTWXQGURZ-CYBMUJFWSA-N
MW322.72 g/mol
LogP2.52
Rot. Bonds4

About methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate

methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate (PubChem CID 97061708) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate
PubChem CID97061708
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Namemethyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate
SMILESCOC(=O)[C@H](NC(=O)c1cccnc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H12ClFN2O3/c1-22-15(21)13(9-4-5-11(16)12(17)7-9)19-14(20)10-3-2-6-18-8-10/h2-8,13H,1H3,(H,19,20)/t13-/m1/s1
InChIKeyOEVWTQTWXQGURZ-CYBMUJFWSA-N
XLogP2.52
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(4-chloro-3-fluorophenyl)-3-(pyridine-3-carbonylamino)propanoic acid
CID 97259466
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62540494
N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 140591732
methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
CID 45139943
methyl (2S)-2-[[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-2-pyridin-3-ylacetate
CID 97260161
4-chloro-N-[(S)-(4-chloro-3-fluorophenyl)-(3-chloro-2-pyridinyl)methyl]-3-fluorobenzamide
CID 130288176
N-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 25239194
N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 39819250
methyl (2S)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propanoate
CID 83069851
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
methyl (2S)-2-(4-chloro-3-fluorophenyl)-2-[[(3R)-oxolane-3-carbonyl]amino]acetate
CID 124514051

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate?
The IUPAC name of methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate (CID 97061708) is methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate.
What is the SMILES notation for methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate?
The canonical SMILES for methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate is COC(=O)[C@H](NC(=O)c1cccnc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate?
The InChIKey is OEVWTQTWXQGURZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c1-22-15(21)13(9-4-5-11(16)12(17)7-9)19-14(20)10-3-2-6-18-8-10/h2-8,13H,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate?
methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate has a molecular weight of 322.72 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-chloro-3-fluorophenyl)-2-(pyridine-3-carbonylamino)acetate is sourced from PubChem (CID 97061708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).