ethyl 3-chloro-4-morpholin-4-ylbenzoate

C13H16ClNO3 — CID 154210360

IUPACethyl 3-chloro-4-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-2-18-13(16)10-3-4-12(11(14)9-10)15-5-7-17-8-6-15/h3-4,9H,2,5-8H2,1H3
InChIKeyDNXOCQAOPVQIQR-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.35
Rot. Bonds3

About ethyl 3-chloro-4-morpholin-4-ylbenzoate

ethyl 3-chloro-4-morpholin-4-ylbenzoate (PubChem CID 154210360) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is ethyl 3-chloro-4-morpholin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 3-chloro-4-morpholin-4-ylbenzoate
PubChem CID154210360
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Nameethyl 3-chloro-4-morpholin-4-ylbenzoate
SMILESCCOC(=O)c1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C13H16ClNO3/c1-2-18-13(16)10-3-4-12(11(14)9-10)15-5-7-17-8-6-15/h3-4,9H,2,5-8H2,1H3
InChIKeyDNXOCQAOPVQIQR-UHFFFAOYSA-N
XLogP2.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
CID 117390089
2-[(5-ethoxycarbonyl-2-morpholin-4-ylphenyl)carbamoyl]benzoic acid
CID 2811007
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate
CID 16740402
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 46778632
ethyl 3-[(3-butan-2-yloxybenzoyl)amino]-4-morpholin-4-ylbenzoate
CID 43913387
ethyl 3-methoxy-5-morpholin-4-ylbenzoate
CID 69175826
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate
CID 42982960
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
methyl 3-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-morpholin-4-ylbenzoate
CID 17336629

Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-4-morpholin-4-ylbenzoate?
The IUPAC name of ethyl 3-chloro-4-morpholin-4-ylbenzoate (CID 154210360) is ethyl 3-chloro-4-morpholin-4-ylbenzoate.
What is the SMILES notation for ethyl 3-chloro-4-morpholin-4-ylbenzoate?
The canonical SMILES for ethyl 3-chloro-4-morpholin-4-ylbenzoate is CCOC(=O)c1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of ethyl 3-chloro-4-morpholin-4-ylbenzoate?
The InChIKey is DNXOCQAOPVQIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-2-18-13(16)10-3-4-12(11(14)9-10)15-5-7-17-8-6-15/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 3-chloro-4-morpholin-4-ylbenzoate?
ethyl 3-chloro-4-morpholin-4-ylbenzoate has a molecular weight of 269.73 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-4-morpholin-4-ylbenzoate is sourced from PubChem (CID 154210360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).