2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide

C16H20F2N4O2 — CID 95282516

IUPAC2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NCC(=O)N[C@@](C)(C#N)C(C)C
InChIInChI=1S/C16H20F2N4O2/c1-9(2)16(4,8-19)22-15(24)7-20-13-5-11(17)12(18)6-14(13)21-10(3)23/h5-6,9,20H,7H2,1-4H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyVSFFDULDINYBRX-INIZCTEOSA-N
MW338.36 g/mol
LogP2.39
Rot. Bonds6

About 2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide

2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide (PubChem CID 95282516) has the molecular formula C16H20F2N4O2 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
PubChem CID95282516
Molecular FormulaC16H20F2N4O2
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Name2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(=O)Nc1cc(F)c(F)cc1NCC(=O)N[C@@](C)(C#N)C(C)C
InChIInChI=1S/C16H20F2N4O2/c1-9(2)16(4,8-19)22-15(24)7-20-13-5-11(17)12(18)6-14(13)21-10(3)23/h5-6,9,20H,7H2,1-4H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyVSFFDULDINYBRX-INIZCTEOSA-N
XLogP2.39
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-fluoroanilino)acetamide
CID 51727361
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3,5-dimethylanilino)acetamide
CID 51726807
2-(2-chloroanilino)-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 43015934
2-[2-chloro-5-(hydroxymethyl)anilino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95292352
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylanilino)acetamide
CID 94183956
2-(2-acetamido-4,5-difluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 95278200
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 51883684
2-(2-acetamidophenoxy)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7867252
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 51860705
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-fluorophenyl)acetamide
CID 39963780
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-fluorobenzoate
CID 2651017
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 7744021

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide (CID 95282516) is 2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide is CC(=O)Nc1cc(F)c(F)cc1NCC(=O)N[C@@](C)(C#N)C(C)C.
What is the InChIKey of 2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide?
The InChIKey is VSFFDULDINYBRX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H20F2N4O2/c1-9(2)16(4,8-19)22-15(24)7-20-13-5-11(17)12(18)6-14(13)21-10(3)23/h5-6,9,20H,7H2,1-4H3,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of 2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide?
2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide has a molecular weight of 338.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-4,5-difluoroanilino)-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 95282516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).