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

C22H21FN2O2 — CID 41075466

IUPAC2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H21FN2O2/c1-16(17-8-7-9-18(23)14-17)24-15-22(26)25-20-12-5-6-13-21(20)27-19-10-3-2-4-11-19/h2-14,16,24H,15H2,1H3,(H,25,26)/t16-/m0/s1
InChIKeyWVFGTSUWCWKEHA-INIZCTEOSA-N
MW364.42 g/mol
LogP4.91
Rot. Bonds7

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

2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide (PubChem CID 41075466) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
PubChem CID41075466
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
SMILESC[C@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C22H21FN2O2/c1-16(17-8-7-9-18(23)14-17)24-15-22(26)25-20-12-5-6-13-21(20)27-19-10-3-2-4-11-19/h2-14,16,24H,15H2,1H3,(H,25,26)/t16-/m0/s1
InChIKeyWVFGTSUWCWKEHA-INIZCTEOSA-N
XLogP4.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-fluorophenyl)ethylamino]-N-(2-methoxyphenyl)acetamide
CID 42914238
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 9369657
N-(2-chlorophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352559
N-(4-fluorophenyl)-2-[[2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074865
N-(4-fluorophenyl)-2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]benzamide
CID 41074869
2-[[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 25387377
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
2-[1-(3-fluorophenyl)ethylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60694421
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9369939
N-(3-bromophenyl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352967
2-(cyclopropylmethylamino)-N-[2-(3-fluorophenoxy)phenyl]acetamide;hydrochloride
CID 119745784
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide (CID 41075466) is 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide is C[C@H](NCC(=O)Nc1ccccc1Oc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is WVFGTSUWCWKEHA-INIZCTEOSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-16(17-8-7-9-18(23)14-17)24-15-22(26)25-20-12-5-6-13-21(20)27-19-10-3-2-4-11-19/h2-14,16,24H,15H2,1H3,(H,25,26)/t16-/m0/s1.
What are the key properties of 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide?
2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 364.42 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 41075466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).