2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide

C15H17BrN2O2 — CID 61401140

IUPAC2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCc1cccc(Br)c1)C(=O)NCc1ccco1
InChIInChI=1S/C15H17BrN2O2/c1-11(15(19)18-10-14-6-3-7-20-14)17-9-12-4-2-5-13(16)8-12/h2-8,11,17H,9-10H2,1H3,(H,18,19)
InChIKeyPYCGMWIFNSNPQG-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.84
Rot. Bonds6

About 2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide

2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 61401140) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID61401140
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(NCc1cccc(Br)c1)C(=O)NCc1ccco1
InChIInChI=1S/C15H17BrN2O2/c1-11(15(19)18-10-14-6-3-7-20-14)17-9-12-4-2-5-13(16)8-12/h2-8,11,17H,9-10H2,1H3,(H,18,19)
InChIKeyPYCGMWIFNSNPQG-UHFFFAOYSA-N
XLogP2.84
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-cyanophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 60918229
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
N-(furan-2-ylmethyl)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 119129013
(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
CID 103735692
N-(furan-2-ylmethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 119128983
2-[[3-(3-cyanopropoxy)phenyl]methylamino]-N-(furan-2-ylmethyl)propanamide
CID 119129027
2-[(3-bromophenyl)methylcarbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 60601838
2-[2-(3-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 43401439
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
2-[(2,3-dichlorophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
CID 119129007
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide (CID 61401140) is 2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide is CC(NCc1cccc(Br)c1)C(=O)NCc1ccco1.
What is the InChIKey of 2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is PYCGMWIFNSNPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-11(15(19)18-10-14-6-3-7-20-14)17-9-12-4-2-5-13(16)8-12/h2-8,11,17H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide?
2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 337.22 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 61401140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).