methyl 2-(3-bromo-5-methoxyanilino)acetate

C10H12BrNO3 — CID 82867874

IUPACmethyl 2-(3-bromo-5-methoxyanilino)acetate
SMILESCOC(=O)CNc1cc(Br)cc(OC)c1
InChIInChI=1S/C10H12BrNO3/c1-14-9-4-7(11)3-8(5-9)12-6-10(13)15-2/h3-5,12H,6H2,1-2H3
InChIKeyBESURWAPERMAJM-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.04
Rot. Bonds4

About methyl 2-(3-bromo-5-methoxyanilino)acetate

methyl 2-(3-bromo-5-methoxyanilino)acetate (PubChem CID 82867874) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is methyl 2-(3-bromo-5-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-5-methoxyanilino)acetate
PubChem CID82867874
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Namemethyl 2-(3-bromo-5-methoxyanilino)acetate
SMILESCOC(=O)CNc1cc(Br)cc(OC)c1
InChIInChI=1S/C10H12BrNO3/c1-14-9-4-7(11)3-8(5-9)12-6-10(13)15-2/h3-5,12H,6H2,1-2H3
InChIKeyBESURWAPERMAJM-UHFFFAOYSA-N
XLogP2.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-5-methoxyanilino)-N-ethylacetamide
CID 82867784
2-(3-bromo-5-methoxyanilino)-N-propylacetamide
CID 82868368
methyl 2-(3-bromo-5-cyanoanilino)acetate
CID 102815053
methyl 2-[3-bromo-5-(trifluoromethyl)anilino]acetate
CID 65489624
(Z)-4-(3-bromo-5-methoxyanilino)-2-methylbut-2-enoic acid
CID 103262053
4-(3-bromo-5-methoxyanilino)butan-1-ol
CID 82868117
3-(3-bromo-5-methoxyanilino)butanoic acid
CID 82868127
2-[2-[(3-bromo-5-methoxyanilino)methyl]phenyl]acetic acid
CID 82861170
5-(3-bromo-5-methoxyanilino)pentan-1-ol
CID 82868448
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
6-(3-bromo-5-methoxyanilino)hexan-1-ol
CID 113343359
methyl (Z)-4-(3-bromo-5-methoxyanilino)-2-ethylbut-2-enoate
CID 103262067

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-5-methoxyanilino)acetate?
The IUPAC name of methyl 2-(3-bromo-5-methoxyanilino)acetate (CID 82867874) is methyl 2-(3-bromo-5-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(3-bromo-5-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(3-bromo-5-methoxyanilino)acetate is COC(=O)CNc1cc(Br)cc(OC)c1.
What is the InChIKey of methyl 2-(3-bromo-5-methoxyanilino)acetate?
The InChIKey is BESURWAPERMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-14-9-4-7(11)3-8(5-9)12-6-10(13)15-2/h3-5,12H,6H2,1-2H3.
What are the key properties of methyl 2-(3-bromo-5-methoxyanilino)acetate?
methyl 2-(3-bromo-5-methoxyanilino)acetate has a molecular weight of 274.11 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-5-methoxyanilino)acetate is sourced from PubChem (CID 82867874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).