2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide

C16H16ClFN2O — CID 9099533

IUPAC2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CNc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClFN2O/c1-11(12-5-3-2-4-6-12)20-16(21)10-19-15-8-7-13(18)9-14(15)17/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyABIALTYKMGCXOA-LLVKDONJSA-N
MW306.77 g/mol
LogP3.77
Rot. Bonds5

About 2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide

2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 9099533) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
PubChem CID9099533
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CNc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClFN2O/c1-11(12-5-3-2-4-6-12)20-16(21)10-19-15-8-7-13(18)9-14(15)17/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyABIALTYKMGCXOA-LLVKDONJSA-N
XLogP3.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetamido-2-chloroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95253523
2-[4-fluoro-2-(4-methylphenyl)sulfonylanilino]-N-(1-phenylethyl)acetamide
CID 22304214
2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51728732
2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95278200
2-(2,6-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 108997357
2-(4-chloro-2,5-dimethoxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9106880
2-(4-cyano-2-fluoroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 99637713
2-(4-cyano-2-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 99637714
2-(benzhydrylamino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 2441188
2-(2-chloro-4-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43404197
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2-(4-chloroanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 9098999

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide (CID 9099533) is 2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CNc1ccc(F)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is ABIALTYKMGCXOA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-11(12-5-3-2-4-6-12)20-16(21)10-19-15-8-7-13(18)9-14(15)17/h2-9,11,19H,10H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide?
2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 306.77 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 9099533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).