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

C17H18ClNO2 — CID 62644896

IUPAC1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one
SMILESO=C(CCN(Cc1ccco1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c18-16-6-2-1-5-15(16)17(20)9-10-19(13-7-8-13)12-14-4-3-11-21-14/h1-6,11,13H,7-10,12H2
InChIKeyUTCBEMQOEVJAHC-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.17
Rot. Bonds7

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

1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one (PubChem CID 62644896) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one
PubChem CID62644896
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one
SMILESO=C(CCN(Cc1ccco1)C1CC1)c1ccccc1Cl
InChIInChI=1S/C17H18ClNO2/c18-16-6-2-1-5-15(16)17(20)9-10-19(13-7-8-13)12-14-4-3-11-21-14/h1-6,11,13H,7-10,12H2
InChIKeyUTCBEMQOEVJAHC-UHFFFAOYSA-N
XLogP4.17
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
1-(2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 55099156
1-(2-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-one
CID 62644705
1-(2-chlorophenyl)-3-[cyclopentyl(ethyl)amino]propan-1-one
CID 62645176
N-but-3-ynyl-N-(furan-2-ylmethyl)cyclopropanamine
CID 63657451
N-(6-chlorohexyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 55053333
2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 55079204
1-(4-bromo-2-chlorophenyl)-3-[furan-2-ylmethyl(methyl)amino]propan-1-one
CID 82779411
2-[cyclohexyl(furan-2-ylmethyl)amino]ethanol
CID 62016796
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913
2-[cyclopropyl(furan-2-ylmethyl)amino]-1-(4-methylphenyl)ethanone
CID 62030869

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one (CID 62644896) is 1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one is O=C(CCN(Cc1ccco1)C1CC1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one?
The InChIKey is UTCBEMQOEVJAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c18-16-6-2-1-5-15(16)17(20)9-10-19(13-7-8-13)12-14-4-3-11-21-14/h1-6,11,13H,7-10,12H2.
What are the key properties of 1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one?
1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one has a molecular weight of 303.79 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-1-one is sourced from PubChem (CID 62644896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).