2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide

C15H14BrN3O2 — CID 107798093

IUPAC2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Nc1cc(Br)ccc1C#N)C(=O)NCc1ccco1
InChIInChI=1S/C15H14BrN3O2/c1-10(15(20)18-9-13-3-2-6-21-13)19-14-7-12(16)5-4-11(14)8-17/h2-7,10,19H,9H2,1H3,(H,18,20)
InChIKeyMZYNVAQYXJYNSM-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.03
Rot. Bonds5

About 2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide

2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 107798093) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID107798093
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC Name2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Nc1cc(Br)ccc1C#N)C(=O)NCc1ccco1
InChIInChI=1S/C15H14BrN3O2/c1-10(15(20)18-9-13-3-2-6-21-13)19-14-7-12(16)5-4-11(14)8-17/h2-7,10,19H,9H2,1H3,(H,18,20)
InChIKeyMZYNVAQYXJYNSM-UHFFFAOYSA-N
XLogP3.03
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-cyanoanilino)-N-pentan-3-ylpropanamide
CID 107798095
2-(5-cyano-2-nitroanilino)-N-(furan-2-ylmethyl)propanamide
CID 122143368
2-(5-bromo-2-cyanoanilino)-N-pentan-2-ylpropanamide
CID 107798096
2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 61401140
2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide
CID 103479110
2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 1093339
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 63333822
2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 60918229

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide (CID 107798093) is 2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide is CC(Nc1cc(Br)ccc1C#N)C(=O)NCc1ccco1.
What is the InChIKey of 2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is MZYNVAQYXJYNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-10(15(20)18-9-13-3-2-6-21-13)19-14-7-12(16)5-4-11(14)8-17/h2-7,10,19H,9H2,1H3,(H,18,20).
What are the key properties of 2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide?
2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 348.20 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 107798093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).