ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate

C21H23ClN2O4 — CID 28565288

IUPACethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1Cl
InChIInChI=1S/C21H23ClN2O4/c1-2-28-21(26)18-7-6-17(13-19(18)22)23-20(25)16-5-3-4-15(12-16)14-24-8-10-27-11-9-24/h3-7,12-13H,2,8-11,14H2,1H3,(H,23,25)
InChIKeyMLCVNPHAXXFQOZ-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.60
Rot. Bonds6

About ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate

ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate (PubChem CID 28565288) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
PubChem CID28565288
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Nameethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1Cl
InChIInChI=1S/C21H23ClN2O4/c1-2-28-21(26)18-7-6-17(13-19(18)22)23-20(25)16-5-3-4-15(12-16)14-24-8-10-27-11-9-24/h3-7,12-13H,2,8-11,14H2,1H3,(H,23,25)
InChIKeyMLCVNPHAXXFQOZ-UHFFFAOYSA-N
XLogP3.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 46764701
ethyl 4-[[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzoyl]amino]-2-chlorobenzoate
CID 46777146
ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724678
3-chloro-5-ethoxy-N-[3-(morpholin-4-ylmethyl)phenyl]-4-propoxybenzamide
CID 60585731
methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 100625550
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 28579825
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92646826
ethyl 4-[[3-(morpholine-4-carbonyl)benzoyl]amino]benzoate
CID 109052957
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
CID 92673889
ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate
CID 56513208

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate (CID 28565288) is ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
The InChIKey is MLCVNPHAXXFQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-2-28-21(26)18-7-6-17(13-19(18)22)23-20(25)16-5-3-4-15(12-16)14-24-8-10-27-11-9-24/h3-7,12-13H,2,8-11,14H2,1H3,(H,23,25).
What are the key properties of ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate?
ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate has a molecular weight of 402.88 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate is sourced from PubChem (CID 28565288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).