N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide

C14H20FNO — CID 168959540

IUPACN-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)C)c(C(C)C)c1F
InChIInChI=1S/C14H20FNO/c1-8(2)11-6-7-12(16-10(5)17)14(15)13(11)9(3)4/h6-9H,1-5H3,(H,16,17)
InChIKeyRYUNQCDSRUJPQZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP4.03
Rot. Bonds3

About N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide

N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide (PubChem CID 168959540) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide
PubChem CID168959540
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)C)c(C(C)C)c1F
InChIInChI=1S/C14H20FNO/c1-8(2)11-6-7-12(16-10(5)17)14(15)13(11)9(3)4/h6-9H,1-5H3,(H,16,17)
InChIKeyRYUNQCDSRUJPQZ-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-difluoro-3-propan-2-ylphenyl)butanamide
CID 177029806
N-[3-chloro-2,6-di(propan-2-yl)phenyl]acetamide;ethane
CID 145387733
N-(2-fluoro-4-iodo-3-methylphenyl)acetamide
CID 166153622
1-(2-propan-2-ylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892439
methyl 3-acetamido-4-propan-2-ylbenzoate
CID 100666592
N-[2,4-difluoro-3-(hydroxymethyl)phenyl]acetamide
CID 67281170
ethane;N-(2-fluoro-3-methylphenyl)acetamide
CID 145070564
N-(3,4-difluoro-2-methylphenyl)acetamide
CID 15692403
3-fluoro-2,4-di(propan-2-yl)phenol
CID 174716434
2,6-difluoro-3-propan-2-ylbenzoic acid
CID 20820281
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
N-(2-fluoro-4-isocyano-3-methylphenyl)acetamide
CID 88856199

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide (CID 168959540) is N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(C(C)C)c(C(C)C)c1F.
What is the InChIKey of N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide?
The InChIKey is RYUNQCDSRUJPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-8(2)11-6-7-12(16-10(5)17)14(15)13(11)9(3)4/h6-9H,1-5H3,(H,16,17).
What are the key properties of N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide?
N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide has a molecular weight of 237.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3,4-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 168959540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).