methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate

C20H20ClNO5 — CID 110306530

IUPACmethyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)CCCC(=O)c2ccc(OC)cc2)ccc1Cl
InChIInChI=1S/C20H20ClNO5/c1-26-15-9-6-13(7-10-15)18(23)4-3-5-19(24)22-14-8-11-17(21)16(12-14)20(25)27-2/h6-12H,3-5H2,1-2H3,(H,22,24)
InChIKeyOZJYEPNXQWABRL-UHFFFAOYSA-N
MW389.84 g/mol
LogP4.13
Rot. Bonds8

About methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate

methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate (PubChem CID 110306530) has the molecular formula C20H20ClNO5 and a molecular weight of 389.84 g/mol. Its IUPAC name is methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate
PubChem CID110306530
Molecular FormulaC20H20ClNO5
Molecular Weight389.84 g/mol
Exact Mass389.10
IUPAC Namemethyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)CCCC(=O)c2ccc(OC)cc2)ccc1Cl
InChIInChI=1S/C20H20ClNO5/c1-26-15-9-6-13(7-10-15)18(23)4-3-5-19(24)22-14-8-11-17(21)16(12-14)20(25)27-2/h6-12H,3-5H2,1-2H3,(H,22,24)
InChIKeyOZJYEPNXQWABRL-UHFFFAOYSA-N
XLogP4.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate with MolForge

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Related Compounds

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N-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
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N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
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2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid
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N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
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5-(4-methoxyphenyl)-5-oxo-N-(3-pyrazol-1-ylphenyl)pentanamide
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S-[4-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl] N,N-dimethylcarbamothioate
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methyl 4-chloro-3-[(5-oxo-5-phenylpentanoyl)amino]benzoate
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CID 94600273

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate (CID 110306530) is methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate is COC(=O)c1cc(NC(=O)CCCC(=O)c2ccc(OC)cc2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate?
The InChIKey is OZJYEPNXQWABRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO5/c1-26-15-9-6-13(7-10-15)18(23)4-3-5-19(24)22-14-8-11-17(21)16(12-14)20(25)27-2/h6-12H,3-5H2,1-2H3,(H,22,24).
What are the key properties of methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate?
methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate has a molecular weight of 389.84 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate is sourced from PubChem (CID 110306530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).