2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide

C15H23BrN2O2 — CID 82868278

IUPAC2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
SMILESCOc1cc(NC(C)C(=O)NCCC(C)C)ccc1Br
InChIInChI=1S/C15H23BrN2O2/c1-10(2)7-8-17-15(19)11(3)18-12-5-6-13(16)14(9-12)20-4/h5-6,9-11,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyMNDCWDDHFMVJFT-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.42
Rot. Bonds7

About 2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide

2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide (PubChem CID 82868278) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
PubChem CID82868278
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide
SMILESCOc1cc(NC(C)C(=O)NCCC(C)C)ccc1Br
InChIInChI=1S/C15H23BrN2O2/c1-10(2)7-8-17-15(19)11(3)18-12-5-6-13(16)14(9-12)20-4/h5-6,9-11,18H,7-8H2,1-4H3,(H,17,19)
InChIKeyMNDCWDDHFMVJFT-UHFFFAOYSA-N
XLogP3.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-chloroanilino)-N-(3-methylbutyl)propanamide
CID 107619927
2-(3-methoxyanilino)-N-(3-methylbutyl)propanamide
CID 43112828
2-(3-bromo-4-methoxyanilino)-N-pentylpropanamide
CID 63996831
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
2-(2-methoxy-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 43113511
ethyl 3-(4-bromo-3-methoxyanilino)butanoate
CID 82867925
2-(4-bromo-3-methoxyanilino)-3-methoxypropanoic acid
CID 103261943
2-(4-iodoanilino)-N-(3-methylbutyl)propanamide
CID 43112998
2-(4-bromo-3-fluoroanilino)-N-(2-methoxyethyl)propanamide
CID 65437332
2-(3-bromo-5-methylanilino)-N-(3-methylbutyl)propanamide
CID 104937932
2-(1,3-benzodioxol-5-ylamino)-N-(3-methylbutyl)propanamide
CID 43112699
2-(4-bromo-3-methoxyanilino)-N'-hydroxypropanimidamide
CID 82867913

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide (CID 82868278) is 2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide is COc1cc(NC(C)C(=O)NCCC(C)C)ccc1Br.
What is the InChIKey of 2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is MNDCWDDHFMVJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-10(2)7-8-17-15(19)11(3)18-12-5-6-13(16)14(9-12)20-4/h5-6,9-11,18H,7-8H2,1-4H3,(H,17,19).
What are the key properties of 2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide?
2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 343.27 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methoxyanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 82868278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).