methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate

C19H19ClN2O5 — CID 108946951

IUPACmethyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CC(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C19H19ClN2O5/c1-26-16-6-4-3-5-13(16)11-21-17(23)10-18(24)22-15-9-12(19(25)27-2)7-8-14(15)20/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRBZDGSZDRFHRGJ-UHFFFAOYSA-N
MW390.82 g/mol
LogP2.78
Rot. Bonds7

About methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate

methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate (PubChem CID 108946951) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
PubChem CID108946951
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Namemethyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)CC(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C19H19ClN2O5/c1-26-16-6-4-3-5-13(16)11-21-17(23)10-18(24)22-15-9-12(19(25)27-2)7-8-14(15)20/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyRBZDGSZDRFHRGJ-UHFFFAOYSA-N
XLogP2.78
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 4-chloro-3-[[2-(2-methoxyanilino)acetyl]amino]benzoate
CID 109009016
methyl 4-chloro-3-[[2-[(2-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 113000009
N'-(3-chloro-2-methylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946920
methyl 3-[[2-(2-chlorophenyl)acetyl]amino]-4-methoxybenzoate
CID 100633924
methyl 4-chloro-3-[(2-phenylacetyl)amino]benzoate
CID 956278
3,4-dichloro-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9246284
methyl 4-chloro-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009027
methyl 4-chloro-3-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109025317
N'-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946915
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199
methyl 4-chloro-3-[[2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
CID 40919288
N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108501079

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate (CID 108946951) is methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)CC(=O)NCc2ccccc2OC)c1.
What is the InChIKey of methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate?
The InChIKey is RBZDGSZDRFHRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-26-16-6-4-3-5-13(16)11-21-17(23)10-18(24)22-15-9-12(19(25)27-2)7-8-14(15)20/h3-9H,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate?
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate has a molecular weight of 390.82 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate is sourced from PubChem (CID 108946951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).