2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide

C15H17BrN2O2 — CID 63333822

IUPAC2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(NC(C)C(=O)NCc2ccco2)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-10-5-6-12(8-14(10)16)18-11(2)15(19)17-9-13-4-3-7-20-13/h3-8,11,18H,9H2,1-2H3,(H,17,19)
InChIKeyHJQYHUGKAJWTIL-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.47
Rot. Bonds5

About 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide

2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 63333822) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID63333822
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(NC(C)C(=O)NCc2ccco2)cc1Br
InChIInChI=1S/C15H17BrN2O2/c1-10-5-6-12(8-14(10)16)18-11(2)15(19)17-9-13-4-3-7-20-13/h3-8,11,18H,9H2,1-2H3,(H,17,19)
InChIKeyHJQYHUGKAJWTIL-UHFFFAOYSA-N
XLogP3.47
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 61470316
1-N'-(3-bromo-4-methylphenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974660
2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088814
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109169271
2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 107573921
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide (CID 63333822) is 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide is Cc1ccc(NC(C)C(=O)NCc2ccco2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is HJQYHUGKAJWTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10-5-6-12(8-14(10)16)18-11(2)15(19)17-9-13-4-3-7-20-13/h3-8,11,18H,9H2,1-2H3,(H,17,19).
What are the key properties of 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide?
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 337.22 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 63333822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).