2-(3-bromo-5-methoxyanilino)-N-ethylacetamide

C11H15BrN2O2 — CID 82867784

IUPAC2-(3-bromo-5-methoxyanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(Br)cc(OC)c1
InChIInChI=1S/C11H15BrN2O2/c1-3-13-11(15)7-14-9-4-8(12)5-10(6-9)16-2/h4-6,14H,3,7H2,1-2H3,(H,13,15)
InChIKeyNDFUUMRVWMSIPA-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.01
Rot. Bonds5

About 2-(3-bromo-5-methoxyanilino)-N-ethylacetamide

2-(3-bromo-5-methoxyanilino)-N-ethylacetamide (PubChem CID 82867784) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-(3-bromo-5-methoxyanilino)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-bromo-5-methoxyanilino)-N-ethylacetamide
PubChem CID82867784
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name2-(3-bromo-5-methoxyanilino)-N-ethylacetamide
SMILESCCNC(=O)CNc1cc(Br)cc(OC)c1
InChIInChI=1S/C11H15BrN2O2/c1-3-13-11(15)7-14-9-4-8(12)5-10(6-9)16-2/h4-6,14H,3,7H2,1-2H3,(H,13,15)
InChIKeyNDFUUMRVWMSIPA-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-methoxyanilino)-N-propylacetamide
CID 82868368
methyl 2-(3-bromo-5-methoxyanilino)acetate
CID 82867874
N-butyl-2-(3,5-dimethoxyanilino)acetamide
CID 32913276
2-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 82867225
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
(Z)-4-(3-bromo-5-methoxyanilino)-2-methylbut-2-enoic acid
CID 103262053
methyl (Z)-4-(3-bromo-5-methoxyanilino)-2-ethylbut-2-enoate
CID 103262067
N-(3-bromo-5-methoxyphenyl)-4-(ethylamino)benzamide
CID 82859109
N-ethyl-2-(3,4,5-trifluoroanilino)acetamide
CID 62810089
4-(3-bromo-5-methoxyanilino)butan-1-ol
CID 82868117
3-(3-bromo-5-methoxyanilino)butanoic acid
CID 82868127
N-ethyl-2-(4-methoxy-2-methylanilino)acetamide
CID 62871703

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methoxyanilino)-N-ethylacetamide?
The IUPAC name of 2-(3-bromo-5-methoxyanilino)-N-ethylacetamide (CID 82867784) is 2-(3-bromo-5-methoxyanilino)-N-ethylacetamide.
What is the SMILES notation for 2-(3-bromo-5-methoxyanilino)-N-ethylacetamide?
The canonical SMILES for 2-(3-bromo-5-methoxyanilino)-N-ethylacetamide is CCNC(=O)CNc1cc(Br)cc(OC)c1.
What is the InChIKey of 2-(3-bromo-5-methoxyanilino)-N-ethylacetamide?
The InChIKey is NDFUUMRVWMSIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-3-13-11(15)7-14-9-4-8(12)5-10(6-9)16-2/h4-6,14H,3,7H2,1-2H3,(H,13,15).
What are the key properties of 2-(3-bromo-5-methoxyanilino)-N-ethylacetamide?
2-(3-bromo-5-methoxyanilino)-N-ethylacetamide has a molecular weight of 287.16 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methoxyanilino)-N-ethylacetamide is sourced from PubChem (CID 82867784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).