2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide

C18H19F2N3O2 — CID 95278200

IUPAC2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NCC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H19F2N3O2/c1-11(13-6-4-3-5-7-13)22-18(25)10-21-16-8-14(19)15(20)9-17(16)23-12(2)24/h3-9,11,21H,10H2,1-2H3,(H,22,25)(H,23,24)/t11-/m1/s1
InChIKeyYZGWEGAIBTXJBC-LLVKDONJSA-N
MW347.37 g/mol
LogP3.21
Rot. Bonds6

About 2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide

2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 95278200) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID95278200
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NCC(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H19F2N3O2/c1-11(13-6-4-3-5-7-13)22-18(25)10-21-16-8-14(19)15(20)9-17(16)23-12(2)24/h3-9,11,21H,10H2,1-2H3,(H,22,25)(H,23,24)/t11-/m1/s1
InChIKeyYZGWEGAIBTXJBC-LLVKDONJSA-N
XLogP3.21
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95253523
2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9099533
2-(4-cyano-2-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 99637714
2-(4-cyano-2-fluoroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 99637713
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-(2,3-dimethylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9080783
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
N-[4-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]phenyl]propanamide
CID 54835521
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54812168
N'-(1-phenylethyl)-N-(2,3,4-trifluorophenyl)propanediamide
CID 108946029

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide (CID 95278200) is 2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide is CC(=O)Nc1cc(F)c(F)cc1NCC(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is YZGWEGAIBTXJBC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-11(13-6-4-3-5-7-13)22-18(25)10-21-16-8-14(19)15(20)9-17(16)23-12(2)24/h3-9,11,21H,10H2,1-2H3,(H,22,25)(H,23,24)/t11-/m1/s1.
What are the key properties of 2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide?
2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 95278200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).