(4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate

C21H16ClFN2O4 — CID 15980829

IUPAC(4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClFN2O4/c22-16-4-1-14(2-5-16)12-29-20(26)13-28-19-10-3-15(11-24-19)21(27)25-18-8-6-17(23)7-9-18/h1-11H,12-13H2,(H,25,27)
InChIKeyIHEDDEKMPBOVFI-UHFFFAOYSA-N
MW414.82 g/mol
LogP4.25
Rot. Bonds7

About (4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate

(4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (PubChem CID 15980829) has the molecular formula C21H16ClFN2O4 and a molecular weight of 414.82 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
PubChem CID15980829
Molecular FormulaC21H16ClFN2O4
Molecular Weight414.82 g/mol
Exact Mass414.08
IUPAC Name(4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1ccc(Cl)cc1
InChIInChI=1S/C21H16ClFN2O4/c22-16-4-1-14(2-5-16)12-29-20(26)13-28-19-10-3-15(11-24-19)21(27)25-18-8-6-17(23)7-9-18/h1-11H,12-13H2,(H,25,27)
InChIKeyIHEDDEKMPBOVFI-UHFFFAOYSA-N
XLogP4.25
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylbutyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate
CID 15981317
(4-chlorophenyl)methyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812349
[2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxymethyl]phenyl]boronic acid
CID 59446426
N-(4-chlorophenyl)-5-[(4-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233729
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
CID 87002406
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
N-[2-(4-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050714
N-(4-acetamidophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156954
ethyl 4-[[6-[(4-fluorophenyl)methylamino]pyridine-3-carbonyl]amino]benzoate
CID 109156667
N-(3-fluorophenyl)-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 58368181
(4-chlorophenyl)methyl N-[4-[[(2-methylpyrimidine-5-carbonyl)amino]methyl]phenyl]carbamate
CID 171824141
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The IUPAC name of (4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate (CID 15980829) is (4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is O=C(COc1ccc(C(=O)Nc2ccc(F)cc2)cn1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
The InChIKey is IHEDDEKMPBOVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O4/c22-16-4-1-14(2-5-16)12-29-20(26)13-28-19-10-3-15(11-24-19)21(27)25-18-8-6-17(23)7-9-18/h1-11H,12-13H2,(H,25,27).
What are the key properties of (4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate?
(4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate has a molecular weight of 414.82 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 15980829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).