2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid

C15H17BrClNO4 — CID 120687853

IUPAC2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2cc(Cl)ccc2Br)CCO1
InChIInChI=1S/C15H17BrClNO4/c16-13-3-2-11(17)7-10(13)1-4-14(19)18-5-6-22-12(9-18)8-15(20)21/h2-3,7,12H,1,4-6,8-9H2,(H,20,21)
InChIKeyVEHYRUCSJJIJSO-UHFFFAOYSA-N
MW390.66 g/mol
LogP2.74
Rot. Bonds5

About 2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid

2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 120687853) has the molecular formula C15H17BrClNO4 and a molecular weight of 390.66 g/mol. Its IUPAC name is 2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID120687853
Molecular FormulaC15H17BrClNO4
Molecular Weight390.66 g/mol
Exact Mass389.00
IUPAC Name2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CCc2cc(Cl)ccc2Br)CCO1
InChIInChI=1S/C15H17BrClNO4/c16-13-3-2-11(17)7-10(13)1-4-14(19)18-5-6-22-12(9-18)8-15(20)21/h2-3,7,12H,1,4-6,8-9H2,(H,20,21)
InChIKeyVEHYRUCSJJIJSO-UHFFFAOYSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 124702416
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124702410
2-[4-[3-(2,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248755
2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
CID 125118700
2-[4-(5-chloro-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82883345
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
2-[4-(3-bromo-5-chlorobenzoyl)morpholin-2-yl]acetic acid
CID 107938149
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
2-[4-[(2,4-dichlorophenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66434437
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid (CID 120687853) is 2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)CCc2cc(Cl)ccc2Br)CCO1.
What is the InChIKey of 2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is VEHYRUCSJJIJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO4/c16-13-3-2-11(17)7-10(13)1-4-14(19)18-5-6-22-12(9-18)8-15(20)21/h2-3,7,12H,1,4-6,8-9H2,(H,20,21).
What are the key properties of 2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid?
2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 390.66 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-bromo-5-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 120687853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).