2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone

C16H15ClFNO — CID 103042833

IUPAC2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1cccc(C(=O)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H15ClFNO/c1-19(2)13-5-3-4-12(10-13)16(20)9-11-6-7-15(18)14(17)8-11/h3-8,10H,9H2,1-2H3
InChIKeyWWORHJSFAUIZOL-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.97
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone

2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone (PubChem CID 103042833) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
PubChem CID103042833
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1cccc(C(=O)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H15ClFNO/c1-19(2)13-5-3-4-12(10-13)16(20)9-11-6-7-15(18)14(17)8-11/h3-8,10H,9H2,1-2H3
InChIKeyWWORHJSFAUIZOL-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
2-(4-bromophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105078998
2-(2,4-difluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105085149
2-(2-bromo-3-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105121347
1-(3-amino-4-methylphenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103042493
2-(3-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 103805212
2-(3-bromo-4-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanone
CID 105083774
2-(3-chloro-4-fluorophenyl)-1-(4-iodophenyl)ethanone
CID 103042866
N-[(4-chlorophenyl)methyl]-3-(dimethylamino)-N-methylbenzamide
CID 78768490
3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
1-[3-(dimethylamino)phenyl]butan-1-one
CID 67236885

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone (CID 103042833) is 2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone is CN(C)c1cccc(C(=O)Cc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
The InChIKey is WWORHJSFAUIZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-19(2)13-5-3-4-12(10-13)16(20)9-11-6-7-15(18)14(17)8-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone?
2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone has a molecular weight of 291.75 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 103042833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).