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

C12H17BrN2O2 — CID 82868368

IUPAC2-(3-bromo-5-methoxyanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(Br)cc(OC)c1
InChIInChI=1S/C12H17BrN2O2/c1-3-4-14-12(16)8-15-10-5-9(13)6-11(7-10)17-2/h5-7,15H,3-4,8H2,1-2H3,(H,14,16)
InChIKeySKMDIYCYYUEXIH-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.40
Rot. Bonds6

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

2-(3-bromo-5-methoxyanilino)-N-propylacetamide (PubChem CID 82868368) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-(3-bromo-5-methoxyanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-bromo-5-methoxyanilino)-N-propylacetamide
PubChem CID82868368
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-(3-bromo-5-methoxyanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(Br)cc(OC)c1
InChIInChI=1S/C12H17BrN2O2/c1-3-4-14-12(16)8-15-10-5-9(13)6-11(7-10)17-2/h5-7,15H,3-4,8H2,1-2H3,(H,14,16)
InChIKeySKMDIYCYYUEXIH-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-methoxyanilino)-N-ethylacetamide
CID 82867784
N-butyl-2-(3,5-dimethoxyanilino)acetamide
CID 32913276
methyl 2-(3-bromo-5-methoxyanilino)acetate
CID 82867874
2-(5-methoxy-2-methylanilino)-N-propylacetamide
CID 113256459
3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide
CID 18162820
4-(3-bromo-5-methoxyanilino)butan-1-ol
CID 82868117
2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide
CID 82867453
2-[3-bromo-5-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 65490633
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
2-[(5-methoxy-2-pyridinyl)amino]-N-propylacetamide
CID 106503985

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methoxyanilino)-N-propylacetamide?
The IUPAC name of 2-(3-bromo-5-methoxyanilino)-N-propylacetamide (CID 82868368) is 2-(3-bromo-5-methoxyanilino)-N-propylacetamide.
What is the SMILES notation for 2-(3-bromo-5-methoxyanilino)-N-propylacetamide?
The canonical SMILES for 2-(3-bromo-5-methoxyanilino)-N-propylacetamide is CCCNC(=O)CNc1cc(Br)cc(OC)c1.
What is the InChIKey of 2-(3-bromo-5-methoxyanilino)-N-propylacetamide?
The InChIKey is SKMDIYCYYUEXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-4-14-12(16)8-15-10-5-9(13)6-11(7-10)17-2/h5-7,15H,3-4,8H2,1-2H3,(H,14,16).
What are the key properties of 2-(3-bromo-5-methoxyanilino)-N-propylacetamide?
2-(3-bromo-5-methoxyanilino)-N-propylacetamide has a molecular weight of 301.18 g/mol, XLogP of 2.40, 6 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-propylacetamide is sourced from PubChem (CID 82868368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).