1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one

C15H16ClNO2 — CID 62629516

IUPAC1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
SMILESCN(CCC(=O)c1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C15H16ClNO2/c1-17(11-14-6-3-9-19-14)8-7-15(18)12-4-2-5-13(16)10-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyDRMVCVJSEBZKFO-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.64
Rot. Bonds6

About 1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one

1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one (PubChem CID 62629516) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
PubChem CID62629516
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
SMILESCN(CCC(=O)c1cccc(Cl)c1)Cc1ccco1
InChIInChI=1S/C15H16ClNO2/c1-17(11-14-6-3-9-19-14)8-7-15(18)12-4-2-5-13(16)10-12/h2-6,9-10H,7-8,11H2,1H3
InChIKeyDRMVCVJSEBZKFO-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-(4-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 62619027
1-(3-chlorophenyl)-3-[furan-3-ylmethyl(methyl)amino]propan-1-one
CID 62629534
4-[furan-2-ylmethyl(methyl)amino]-1-phenylbutan-1-one
CID 60695002
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
1-(4-bromo-2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 82779411
1-(3-chlorophenyl)-3-[2-ethoxyethyl(methyl)amino]propan-1-one
CID 81073777
1-(3-chlorophenyl)-N'-(furan-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 62630263
N-benzyl-3-chloro-N-(furan-2-ylmethyl)benzamide
CID 772869
3-[ethyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 55094929
N-(3-chlorophenyl)-N-(furan-2-ylmethyl)benzamide
CID 35182283
1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
CID 62629866
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one (CID 62629516) is 1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one is CN(CCC(=O)c1cccc(Cl)c1)Cc1ccco1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one?
The InChIKey is DRMVCVJSEBZKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-17(11-14-6-3-9-19-14)8-7-15(18)12-4-2-5-13(16)10-12/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one?
1-(3-chlorophenyl)-3-[furan-2-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-2-ylmethyl(methyl)amino]propan-1-one is sourced from PubChem (CID 62629516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).