[2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate

C18H16BrNO4 — CID 1125854

IUPAC[2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate
SMILESO=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrNO4/c19-14-7-5-13(6-8-14)18(22)24-16-4-2-1-3-15(16)17(21)20-9-11-23-12-10-20/h1-8H,9-12H2
InChIKeyRNXQYHHPVPUAJM-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.14
Rot. Bonds3

About [2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate

[2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate (PubChem CID 1125854) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is [2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate.

Molecular Properties

Compound Name[2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate
PubChem CID1125854
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name[2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate
SMILESO=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(Br)cc1
InChIInChI=1S/C18H16BrNO4/c19-14-7-5-13(6-8-14)18(22)24-16-4-2-1-3-15(16)17(21)20-9-11-23-12-10-20/h1-8H,9-12H2
InChIKeyRNXQYHHPVPUAJM-UHFFFAOYSA-N
XLogP3.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate 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

3-(4-Benzoylpiperazine-1-carbonyl)coumarin
CID 1143426
[4-[(2-Bromophenoxy)methyl]phenyl]-(1-piperidinyl)methanone
CID 1222996
2-Bromophenyl 4-[(3-methyl-1-piperidinyl)carbonyl]benzyl ether
CID 4142326
2-(2-((4-Bromo-2-fluorobenzyl)carbamoyl)phenoxy)acetic acid
CID 22093457
2-(4-Bromophenyl)-2,3-dihydro-1,3-benzoxazin-4-one
CID 2832472
[2-(Morpholine-4-carbonyl)phenyl] 3-bromobenzoate
CID 657858
2-Methyl-benzoic acid 2-(morpholine-4-carbonyl)-phenyl ester
CID 794052
Methyl 1-(2-phenoxybenzoyl)piperidine-4-carboxylate
CID 884056
Ethyl 4-(2-phenoxybenzoyl)piperazine-1-carboxylate
CID 1116205
Benzoic acid 4-bromo-2-(morpholine-4-carbothioyl)-phenyl ester
CID 1127249
(4-Bromophenyl)methyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 2416469
Ethyl 1-(2-phenoxybenzoyl)piperidine-3-carboxylate
CID 2905319

Frequently Asked Questions

What is the IUPAC name of [2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate?
The IUPAC name of [2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate (CID 1125854) is [2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate.
What is the SMILES notation for [2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate?
The canonical SMILES for [2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate is O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(Br)cc1.
What is the InChIKey of [2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate?
The InChIKey is RNXQYHHPVPUAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO4/c19-14-7-5-13(6-8-14)18(22)24-16-4-2-1-3-15(16)17(21)20-9-11-23-12-10-20/h1-8H,9-12H2.
What are the key properties of [2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate?
[2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate has a molecular weight of 390.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholine-4-carbonyl)phenyl] 4-bromobenzoate is sourced from PubChem (CID 1125854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).