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

C16H15ClFNO — CID 42905870

IUPACN-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO/c1-11(13-5-3-6-14(17)10-13)19-16(20)9-12-4-2-7-15(18)8-12/h2-8,10-11H,9H2,1H3,(H,19,20)
InChIKeyDIQGMAYUGDFPAB-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.90
Rot. Bonds4

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

N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 42905870) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID42905870
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1cccc(F)c1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO/c1-11(13-5-3-6-14(17)10-13)19-16(20)9-12-4-2-7-15(18)8-12/h2-8,10-11H,9H2,1H3,(H,19,20)
InChIKeyDIQGMAYUGDFPAB-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
CID 62504759
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8700805
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
2-(3-fluorophenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134045512
N-[1-(3-chlorophenyl)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46490982
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9092722

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide (CID 42905870) is N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide is CC(NC(=O)Cc1cccc(F)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is DIQGMAYUGDFPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11(13-5-3-6-14(17)10-13)19-16(20)9-12-4-2-7-15(18)8-12/h2-8,10-11H,9H2,1H3,(H,19,20).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide?
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 291.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 42905870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).