methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate

C28H23ClN2O5 — CID 20602808

IUPACmethyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C28H23ClN2O5/c1-34-28(33)24-16-21(29)8-13-25(24)31-26(32)15-20-7-14-27(30-17-20)36-23-11-9-22(10-12-23)35-18-19-5-3-2-4-6-19/h2-14,16-17H,15,18H2,1H3,(H,31,32)
InChIKeyMEVNELVTIAUIRV-UHFFFAOYSA-N
MW502.95 g/mol
LogP6.07
Rot. Bonds9

About methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate

methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate (PubChem CID 20602808) has the molecular formula C28H23ClN2O5 and a molecular weight of 502.95 g/mol. Its IUPAC name is methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate
PubChem CID20602808
Molecular FormulaC28H23ClN2O5
Molecular Weight502.95 g/mol
Exact Mass502.13
IUPAC Namemethyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C28H23ClN2O5/c1-34-28(33)24-16-21(29)8-13-25(24)31-26(32)15-20-7-14-27(30-17-20)36-23-11-9-22(10-12-23)35-18-19-5-3-2-4-6-19/h2-14,16-17H,15,18H2,1H3,(H,31,32)
InChIKeyMEVNELVTIAUIRV-UHFFFAOYSA-N
XLogP6.07
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.95
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 5-chloro-2-[[2-[6-(6-phenylmethoxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602835
methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602830
2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 22484910
methyl 2-[[2-[6-[4-(2-phenylethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate
CID 20602818
methyl 2-[[2-[6-[4-(2-bromoethoxy)phenoxy]-3-pyridinyl]acetyl]amino]benzoate
CID 20602799
2-[[2-[6-[4-[(4-cyanophenyl)methoxy]phenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 148775591
2-[[2-[6-[4-(2-methoxyethoxy)phenoxy]-3-pyridinyl]acetyl]amino]-5-methylbenzoic acid
CID 20602135
methyl 2-[[2-[6-(6-pentan-3-yloxynaphthalen-2-yl)oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602820
methyl 5-chloro-2-(3-phenylpropanoylamino)benzoate
CID 171988189
acetamido 2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetate
CID 139794426
methyl 2-[[2-[6-[6-[(E)-but-2-enoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602840
methyl 2-[[2-[6-[6-[2-(4-fluorophenyl)ethoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate
CID 20602823

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate?
The IUPAC name of methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate (CID 20602808) is methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate is COC(=O)c1cc(Cl)ccc1NC(=O)Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate?
The InChIKey is MEVNELVTIAUIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN2O5/c1-34-28(33)24-16-21(29)8-13-25(24)31-26(32)15-20-7-14-27(30-17-20)36-23-11-9-22(10-12-23)35-18-19-5-3-2-4-6-19/h2-14,16-17H,15,18H2,1H3,(H,31,32).
What are the key properties of methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate?
methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate has a molecular weight of 502.95 g/mol, XLogP of 6.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoate is sourced from PubChem (CID 20602808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).