2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide

C16H15ClFNO — CID 58433982

IUPAC2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc(Cl)ccc1-c1ccccc1F
InChIInChI=1S/C16H15ClFNO/c1-19(2)16(20)10-11-9-12(17)7-8-13(11)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3
InChIKeyDLZBITCUXSGYOK-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.78
Rot. Bonds3

About 2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide

2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide (PubChem CID 58433982) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide
PubChem CID58433982
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cc(Cl)ccc1-c1ccccc1F
InChIInChI=1S/C16H15ClFNO/c1-19(2)16(20)10-11-9-12(17)7-8-13(11)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3
InChIKeyDLZBITCUXSGYOK-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-(2-fluorophenyl)phenol
CID 46314337
2-(2-chloro-4-fluorophenyl)-N,N-dimethylacetamide
CID 126789693
1-(2,5-dichlorophenyl)-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 62037111
2-[[2-(5-chloro-2-fluorophenyl)acetyl]-methylamino]acetic acid
CID 82484267
2-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869
1-[5-fluoro-2-(2-fluorophenyl)phenyl]ethanone
CID 22482354
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-3-oxobutanamide
CID 115176479
2-(5-chloro-2-phenylphenyl)-N-methylacetamide
CID 58434018
2-(6-chloroquinolin-2-yl)-N,N-dimethylacetamide
CID 110490467
ethyl 5-chloro-2-(2-methylphenyl)benzoate
CID 142890235
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
[2-[2-(aminomethyl)-4-chlorophenyl]phenyl]methanamine
CID 143648199

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide (CID 58433982) is 2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1cc(Cl)ccc1-c1ccccc1F.
What is the InChIKey of 2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide?
The InChIKey is DLZBITCUXSGYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-19(2)16(20)10-11-9-12(17)7-8-13(11)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide?
2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide has a molecular weight of 291.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(2-fluorophenyl)phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 58433982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).