methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate

C20H20Cl2N2O5 — CID 17336629

IUPACmethyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1
InChIInChI=1S/C20H20Cl2N2O5/c1-27-18-14(21)9-13(10-15(18)22)19(25)23-16-11-12(20(26)28-2)3-4-17(16)24-5-7-29-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H,23,25)
InChIKeySSSNOPODPAXTRW-UHFFFAOYSA-N
MW439.30 g/mol
LogP3.88
Rot. Bonds5

About methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate

methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate (PubChem CID 17336629) has the molecular formula C20H20Cl2N2O5 and a molecular weight of 439.30 g/mol. Its IUPAC name is methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate
PubChem CID17336629
Molecular FormulaC20H20Cl2N2O5
Molecular Weight439.30 g/mol
Exact Mass438.07
IUPAC Namemethyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1
InChIInChI=1S/C20H20Cl2N2O5/c1-27-18-14(21)9-13(10-15(18)22)19(25)23-16-11-12(20(26)28-2)3-4-17(16)24-5-7-29-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H,23,25)
InChIKeySSSNOPODPAXTRW-UHFFFAOYSA-N
XLogP3.88
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(3,4-dichlorobenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate
CID 17336341
methyl 3-[(3,5-dichloro-4-methoxybenzoyl)carbamothioylamino]-4-(4-methylpiperazin-1-yl)benzoate
CID 17335685
3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 4029398
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 4034494
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
methyl 3-[(3-chloro-4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457161
3,5-dichloro-4-methoxy-N-(4-morpholin-4-yl-3-nitrophenyl)benzamide
CID 17127080
methyl 4-morpholin-4-yl-3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]benzoate
CID 17336608
methyl 3-[[3-(2-methylpropoxy)benzoyl]amino]-4-morpholin-4-ylbenzoate
CID 16654377
methyl 3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate
CID 17336384
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
4-fluoro-N-(5-methoxy-2-morpholin-4-ylphenyl)benzamide
CID 6473304

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate?
The IUPAC name of methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate (CID 17336629) is methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate is COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1.
What is the InChIKey of methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate?
The InChIKey is SSSNOPODPAXTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O5/c1-27-18-14(21)9-13(10-15(18)22)19(25)23-16-11-12(20(26)28-2)3-4-17(16)24-5-7-29-8-6-24/h3-4,9-11H,5-8H2,1-2H3,(H,23,25).
What are the key properties of methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate?
methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate has a molecular weight of 439.30 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate is sourced from PubChem (CID 17336629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).