1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one

C15H16ClNO2 — CID 62629534

IUPAC1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one
SMILESCN(CCC(=O)c1cccc(Cl)c1)Cc1ccoc1
InChIInChI=1S/C15H16ClNO2/c1-17(10-12-6-8-19-11-12)7-5-15(18)13-3-2-4-14(16)9-13/h2-4,6,8-9,11H,5,7,10H2,1H3
InChIKeyGZFRQTCGUNUQDD-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.64
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one

1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one (PubChem CID 62629534) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one
PubChem CID62629534
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one
SMILESCN(CCC(=O)c1cccc(Cl)c1)Cc1ccoc1
InChIInChI=1S/C15H16ClNO2/c1-17(10-12-6-8-19-11-12)7-5-15(18)13-3-2-4-14(16)9-13/h2-4,6,8-9,11H,5,7,10H2,1H3
InChIKeyGZFRQTCGUNUQDD-UHFFFAOYSA-N
XLogP3.64
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62629516
1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one
CID 81073777
1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
CID 62629866
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
2-(3-chlorophenyl)-1-(furan-3-yl)ethanone
CID 62505293
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-one
CID 62643375
1-(3-chlorophenyl)-3-[propan-2-yl(propyl)amino]propan-1-one
CID 62630366
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
1-(3-amino-5-chlorophenyl)-2-(furan-3-yl)ethanone
CID 116597474
1-(3-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propan-1-one
CID 62631217
1-(3-chlorophenyl)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-1-one
CID 62628661

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one (CID 62629534) is 1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one is CN(CCC(=O)c1cccc(Cl)c1)Cc1ccoc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one?
The InChIKey is GZFRQTCGUNUQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-17(10-12-6-8-19-11-12)7-5-15(18)13-3-2-4-14(16)9-13/h2-4,6,8-9,11H,5,7,10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one?
1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one has a molecular weight of 277.75 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 62629534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).