N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide

C17H17ClFNO — CID 42961637

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
SMILESCC(Cc1ccccc1Cl)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H17ClFNO/c1-12(9-14-6-2-3-8-16(14)18)20-17(21)11-13-5-4-7-15(19)10-13/h2-8,10,12H,9,11H2,1H3,(H,20,21)
InChIKeyZDOJEPCEYAWZEZ-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.77
Rot. Bonds5

About N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide

N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide (PubChem CID 42961637) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
PubChem CID42961637
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
SMILESCC(Cc1ccccc1Cl)NC(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H17ClFNO/c1-12(9-14-6-2-3-8-16(14)18)20-17(21)11-13-5-4-7-15(19)10-13/h2-8,10,12H,9,11H2,1H3,(H,20,21)
InChIKeyZDOJEPCEYAWZEZ-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 83180361
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 62092603
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
1-(2-chlorophenyl)-N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 43677542
N-(1,1-diphenylpropan-2-yl)-2-(3-fluorophenyl)acetamide
CID 46436394
N-(2,6-dichlorophenyl)-2-(3-fluorophenyl)acetamide
CID 92647585
2-(3-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255031
2-(2-chloro-6-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2575385
2-(2-chloro-6-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2575382

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide (CID 42961637) is N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide is CC(Cc1ccccc1Cl)NC(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide?
The InChIKey is ZDOJEPCEYAWZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-12(9-14-6-2-3-8-16(14)18)20-17(21)11-13-5-4-7-15(19)10-13/h2-8,10,12H,9,11H2,1H3,(H,20,21).
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide?
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide has a molecular weight of 305.78 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 42961637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).