1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one

C16H18BrNO2 — CID 62036820

IUPAC1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one
SMILESCCN(Cc1ccco1)C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-3-18(11-15-5-4-10-20-15)12(2)16(19)13-6-8-14(17)9-7-13/h4-10,12H,3,11H2,1-2H3
InChIKeyGYHPGGBXGJWZAX-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.14
Rot. Bonds6

About 1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one

1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one (PubChem CID 62036820) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one
PubChem CID62036820
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one
SMILESCCN(Cc1ccco1)C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrNO2/c1-3-18(11-15-5-4-10-20-15)12(2)16(19)13-6-8-14(17)9-7-13/h4-10,12H,3,11H2,1-2H3
InChIKeyGYHPGGBXGJWZAX-UHFFFAOYSA-N
XLogP4.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 60680295
[1-(4-bromophenyl)-1-oxopropan-2-yl] 2-(furan-2-ylmethylamino)benzoate
CID 18209067
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
2-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]propanoyl chloride
CID 50894473
1-(3,4-dimethylphenyl)-2-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62052574
propan-2-yl N-ethyl-N-(furan-2-ylmethyl)carbamate
CID 116654523
2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide
CID 63579097
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl(furan-2-ylmethyl)amino]propanamide
CID 124839669
4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 55587760
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-bromo-N-propan-2-ylbenzamide
CID 4179115

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one (CID 62036820) is 1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one is CCN(Cc1ccco1)C(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one?
The InChIKey is GYHPGGBXGJWZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-3-18(11-15-5-4-10-20-15)12(2)16(19)13-6-8-14(17)9-7-13/h4-10,12H,3,11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one?
1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one has a molecular weight of 336.23 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 62036820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).