3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide

C18H19ClFNO — CID 46679807

IUPAC3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCCc2ccccc2F)cc1Cl
InChIInChI=1S/C18H19ClFNO/c1-13-6-7-14(12-16(13)19)8-9-18(22)21-11-10-15-4-2-3-5-17(15)20/h2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeyUNKUHPASRYMACD-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.08
Rot. Bonds6

About 3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide

3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide (PubChem CID 46679807) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
PubChem CID46679807
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC Name3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCCc2ccccc2F)cc1Cl
InChIInChI=1S/C18H19ClFNO/c1-13-6-7-14(12-16(13)19)8-9-18(22)21-11-10-15-4-2-3-5-17(15)20/h2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeyUNKUHPASRYMACD-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
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3-(3,4-dichloroanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
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4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046
3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
CID 110791942
N'-(5-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948290
3-(3-chloro-4-methylphenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 18140580
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
3-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024693
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)propanamide
CID 110627058
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide (CID 46679807) is 3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide is Cc1ccc(CCC(=O)NCCc2ccccc2F)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide?
The InChIKey is UNKUHPASRYMACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO/c1-13-6-7-14(12-16(13)19)8-9-18(22)21-11-10-15-4-2-3-5-17(15)20/h2-7,12H,8-11H2,1H3,(H,21,22).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide?
3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide has a molecular weight of 319.81 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 46679807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).