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

C16H15ClFNO — CID 8700805

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO/c1-11(12-6-4-7-14(17)9-12)19-16(20)10-13-5-2-3-8-15(13)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyJHTQZUXFLGSMSJ-NSHDSACASA-N
MW291.75 g/mol
LogP3.90
Rot. Bonds4

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

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 8700805) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID8700805
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
SMILESC[C@H](NC(=O)Cc1ccccc1F)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClFNO/c1-11(12-6-4-7-14(17)9-12)19-16(20)10-13-5-2-3-8-15(13)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1
InChIKeyJHTQZUXFLGSMSJ-NSHDSACASA-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

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
2-(2-chloro-6-fluorophenyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 42998538
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
N-[1-(3-chlorophenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 42905870
N-[1-(3-chlorophenyl)ethyl]-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086132
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9092722
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9164665
2-(4-bromophenyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 9164817
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467431
N-[1-(3-chlorophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60640928
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 94487638

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide (CID 8700805) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide is C[C@H](NC(=O)Cc1ccccc1F)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is JHTQZUXFLGSMSJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11(12-6-4-7-14(17)9-12)19-16(20)10-13-5-2-3-8-15(13)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-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-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 8700805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).