2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide

C19H21ClFNO — CID 133161430

IUPAC2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)Cc1ccc(Cl)cc1F)c1ccc(C)c(C)c1
InChIInChI=1S/C19H21ClFNO/c1-4-18(15-6-5-12(2)13(3)9-15)22-19(23)10-14-7-8-16(20)11-17(14)21/h5-9,11,18H,4,10H2,1-3H3,(H,22,23)
InChIKeyYORXGONAYPTIHD-UHFFFAOYSA-N
MW333.83 g/mol
LogP4.91
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide

2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide (PubChem CID 133161430) has the molecular formula C19H21ClFNO and a molecular weight of 333.83 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
PubChem CID133161430
Molecular FormulaC19H21ClFNO
Molecular Weight333.83 g/mol
Exact Mass333.13
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)Cc1ccc(Cl)cc1F)c1ccc(C)c(C)c1
InChIInChI=1S/C19H21ClFNO/c1-4-18(15-6-5-12(2)13(3)9-15)22-19(23)10-14-7-8-16(20)11-17(14)21/h5-9,11,18H,4,10H2,1-3H3,(H,22,23)
InChIKeyYORXGONAYPTIHD-UHFFFAOYSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
CID 100565359
2-(2-chlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)propyl]acetamide
CID 100633604
2-(2,4-dimethylphenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 133202118
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 132651553
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
N-[1-(4-chlorophenyl)propyl]-2-(2-fluorophenyl)acetamide
CID 18158661
2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
CID 132651752
2-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133162635
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]acetamide
CID 30222970
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132654231
4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100760961
2-(4-chloro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43895471

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide (CID 133161430) is 2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide is CCC(NC(=O)Cc1ccc(Cl)cc1F)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide?
The InChIKey is YORXGONAYPTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNO/c1-4-18(15-6-5-12(2)13(3)9-15)22-19(23)10-14-7-8-16(20)11-17(14)21/h5-9,11,18H,4,10H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide?
2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide has a molecular weight of 333.83 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 133161430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).