2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide

C14H14BrClN2O2 — CID 103479110

IUPAC2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Nc1cccc(Cl)c1Br)C(=O)NCc1ccco1
InChIInChI=1S/C14H14BrClN2O2/c1-9(14(19)17-8-10-4-3-7-20-10)18-12-6-2-5-11(16)13(12)15/h2-7,9,18H,8H2,1H3,(H,17,19)
InChIKeySAMJTAGOZIKRIM-UHFFFAOYSA-N
MW357.64 g/mol
LogP3.81
Rot. Bonds5

About 2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide

2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide (PubChem CID 103479110) has the molecular formula C14H14BrClN2O2 and a molecular weight of 357.64 g/mol. Its IUPAC name is 2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide
PubChem CID103479110
Molecular FormulaC14H14BrClN2O2
Molecular Weight357.64 g/mol
Exact Mass355.99
IUPAC Name2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Nc1cccc(Cl)c1Br)C(=O)NCc1ccco1
InChIInChI=1S/C14H14BrClN2O2/c1-9(14(19)17-8-10-4-3-7-20-10)18-12-6-2-5-11(16)13(12)15/h2-7,9,18H,8H2,1H3,(H,17,19)
InChIKeySAMJTAGOZIKRIM-UHFFFAOYSA-N
XLogP3.81
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088644
2-[(2,3-dichlorophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 119129007
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)propanamide
CID 103479185
2-(2-bromo-3-chloroanilino)-N-pentan-2-ylpropanamide
CID 103478871
2-(3,5-dichloro-4-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 107573921
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 8013492
2-(4-chloro-3-fluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 61470316
2-(5-bromo-2-cyanoanilino)-N-(furan-2-ylmethyl)propanamide
CID 107798093
2-(2,4-difluoroanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088700
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide (CID 103479110) is 2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide is CC(Nc1cccc(Cl)c1Br)C(=O)NCc1ccco1.
What is the InChIKey of 2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is SAMJTAGOZIKRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2O2/c1-9(14(19)17-8-10-4-3-7-20-10)18-12-6-2-5-11(16)13(12)15/h2-7,9,18H,8H2,1H3,(H,17,19).
What are the key properties of 2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide?
2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 357.64 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-chloroanilino)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 103479110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).