1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone

C15H13ClFNO — CID 82104492

IUPAC1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone
SMILESO=C(CNCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNO/c16-13-5-3-12(4-6-13)15(19)10-18-9-11-1-7-14(17)8-2-11/h1-8,18H,9-10H2
InChIKeyBDDJUNVWLQPLGF-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.45
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone

1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone (PubChem CID 82104492) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone
PubChem CID82104492
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone
SMILESO=C(CNCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNO/c16-13-5-3-12(4-6-13)15(19)10-18-9-11-1-7-14(17)8-2-11/h1-8,18H,9-10H2
InChIKeyBDDJUNVWLQPLGF-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)ethanone
CID 82101505
4-[[[2-(4-chlorophenyl)-2-oxoethyl]amino]methyl]benzoic acid
CID 82104497
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
1-(4-methylphenyl)-2-[(4-methylphenyl)methylamino]ethanone
CID 82101223
1-(4-fluorophenyl)-2-(pyridin-3-ylmethylamino)ethanone
CID 82101488
2-[(4-chlorophenyl)methylamino]-N-(2,4-difluorophenyl)acetamide
CID 4555124
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-chlorobenzoate
CID 2629130
2-[(4-chlorophenyl)methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 108998099
N-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718091
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
4-[[(4-chlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458865

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone (CID 82104492) is 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone is O=C(CNCc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone?
The InChIKey is BDDJUNVWLQPLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c16-13-5-3-12(4-6-13)15(19)10-18-9-11-1-7-14(17)8-2-11/h1-8,18H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone?
1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone has a molecular weight of 277.73 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(4-fluorophenyl)methylamino]ethanone is sourced from PubChem (CID 82104492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).