methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate

C18H18BrNO4 — CID 8867148

IUPACmethyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)Oc1cccc(C)c1
InChIInChI=1S/C18H18BrNO4/c1-11-5-4-6-14(9-11)24-12(2)17(21)20-16-8-7-13(19)10-15(16)18(22)23-3/h4-10,12H,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyOOVWJKRLOBDZNA-GFCCVEGCSA-N
MW392.25 g/mol
LogP3.95
Rot. Bonds5

About methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate

methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate (PubChem CID 8867148) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
PubChem CID8867148
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Namemethyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
SMILESCOC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)Oc1cccc(C)c1
InChIInChI=1S/C18H18BrNO4/c1-11-5-4-6-14(9-11)24-12(2)17(21)20-16-8-7-13(19)10-15(16)18(22)23-3/h4-10,12H,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyOOVWJKRLOBDZNA-GFCCVEGCSA-N
XLogP3.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate with MolForge

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Related Compounds

methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 2168029
methyl 2-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]benzoate
CID 1177887
methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 26076182
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
N-(2,4-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
methyl 2-[[(2S)-2-(4-bromophenoxy)propanoyl]amino]benzoate
CID 29453906
methyl 2-[[(2S)-2-(3,5-dimethylphenoxy)propanoyl]amino]benzoate
CID 962200
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
methyl 3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]thiophene-2-carboxylate
CID 8537163
N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide
CID 4931464
N-(2-hydroxyphenyl)-2-(3-methylphenoxy)propanamide
CID 18103927

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
The IUPAC name of methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate (CID 8867148) is methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate.
What is the SMILES notation for methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
The canonical SMILES for methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate is COC(=O)c1cc(Br)ccc1NC(=O)[C@@H](C)Oc1cccc(C)c1.
What is the InChIKey of methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
The InChIKey is OOVWJKRLOBDZNA-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-11-5-4-6-14(9-11)24-12(2)17(21)20-16-8-7-13(19)10-15(16)18(22)23-3/h4-10,12H,1-3H3,(H,20,21)/t12-/m1/s1.
What are the key properties of methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate?
methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate has a molecular weight of 392.25 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromo-2-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate is sourced from PubChem (CID 8867148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).