2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid

C25H20ClNO5 — CID 10204236

IUPAC2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccc2cc(OCC(=O)O)ccc2c1
InChIInChI=1S/C25H20ClNO5/c1-15-22(12-23(32-15)17-4-7-20(26)8-5-17)25(30)27-13-16-2-3-19-11-21(31-14-24(28)29)9-6-18(19)10-16/h2-12H,13-14H2,1H3,(H,27,30)(H,28,29)
InChIKeyIYLOWRWXFNZVOJ-UHFFFAOYSA-N
MW449.89 g/mol
LogP5.46
Rot. Bonds7

About 2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid

2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid (PubChem CID 10204236) has the molecular formula C25H20ClNO5 and a molecular weight of 449.89 g/mol. Its IUPAC name is 2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid
PubChem CID10204236
Molecular FormulaC25H20ClNO5
Molecular Weight449.89 g/mol
Exact Mass449.10
IUPAC Name2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccc2cc(OCC(=O)O)ccc2c1
InChIInChI=1S/C25H20ClNO5/c1-15-22(12-23(32-15)17-4-7-20(26)8-5-17)25(30)27-13-16-2-3-19-11-21(31-14-24(28)29)9-6-18(19)10-16/h2-12H,13-14H2,1H3,(H,27,30)(H,28,29)
InChIKeyIYLOWRWXFNZVOJ-UHFFFAOYSA-N
XLogP5.46
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.89
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-N-[(4-chlorophenyl)methyl]-2-methylfuran-3-carboxamide
CID 16651520
5-(4-chlorophenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 155515471
2-[6-[[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid
CID 10118010
5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 16651453
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429
(2R)-2-[[5-(4-methoxyphenyl)-2-methylfuran-3-carbonyl]amino]-3-naphthalen-2-ylpropanoic acid
CID 46191374
2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1383018
2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42107591
2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
CID 17015882
1-[(4-chlorophenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 46699791
N-(2-chlorophenyl)-5-(4-chlorophenyl)-2-methylfuran-3-carboxamide
CID 2742801

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid (CID 10204236) is 2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid is Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)NCc1ccc2cc(OCC(=O)O)ccc2c1.
What is the InChIKey of 2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid?
The InChIKey is IYLOWRWXFNZVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClNO5/c1-15-22(12-23(32-15)17-4-7-20(26)8-5-17)25(30)27-13-16-2-3-19-11-21(31-14-24(28)29)9-6-18(19)10-16/h2-12H,13-14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid?
2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid has a molecular weight of 449.89 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 10204236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).