4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide

C17H17FN2O — CID 167054887

IUPAC4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide
SMILES[H]/N=C(\CCC(N)=O)c1ccc(-c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C17H17FN2O/c1-11-2-4-12(5-3-11)14-7-6-13(10-15(14)18)16(19)8-9-17(20)21/h2-7,10,19H,8-9H2,1H3,(H2,20,21)/b19-16+
InChIKeyUCPQVKVRTPZLAR-KNTRCKAVSA-N
MW284.33 g/mol
LogP3.43
Rot. Bonds5

About 4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide

4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide (PubChem CID 167054887) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide.

Molecular Properties

Compound Name4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide
PubChem CID167054887
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide
SMILES[H]/N=C(\CCC(N)=O)c1ccc(-c2ccc(C)cc2)c(F)c1
InChIInChI=1S/C17H17FN2O/c1-11-2-4-12(5-3-11)14-7-6-13(10-15(14)18)16(19)8-9-17(20)21/h2-7,10,19H,8-9H2,1H3,(H2,20,21)/b19-16+
InChIKeyUCPQVKVRTPZLAR-KNTRCKAVSA-N
XLogP3.43
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-fluoro-4-[5-methyl-2-[(E)-prop-1-enyl]phenyl]phenyl]-4-iminobutanamide
CID 167054796
4-[3-fluoro-4-(3-prop-1-en-2-ylphenyl)phenyl]-4-iminobutanamide
CID 167054913
4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-hydroxyiminobutanoic acid
CID 85069221
4-[3-fluoro-4-[(2Z,4Z,6E)-1-imino-5-methylocta-2,4,6-trien-4-yl]phenyl]-4-iminobutanamide
CID 167054779
4-butanimidoyl-2-fluoroaniline
CID 174484093
4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide
CID 143275681
4-(4-aminophenyl)-3-fluorobenzoic acid
CID 166791377
[4-[4-[4-(carbamimidoyloxymethyl)-2-fluorophenyl]phenyl]phenyl]methyl carbamimidate
CID 91548954
2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline
CID 167054767
4-(4-but-2-enylphenyl)-2-fluoro-1-(4-methylphenyl)benzene
CID 59307258
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
N-cyclopentyl-4-(2,4-difluorophenyl)-N-methylbenzamide;propanamide
CID 144760281

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide?
The IUPAC name of 4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide (CID 167054887) is 4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide.
What is the SMILES notation for 4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide?
The canonical SMILES for 4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide is [H]/N=C(\CCC(N)=O)c1ccc(-c2ccc(C)cc2)c(F)c1.
What is the InChIKey of 4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide?
The InChIKey is UCPQVKVRTPZLAR-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11-2-4-12(5-3-11)14-7-6-13(10-15(14)18)16(19)8-9-17(20)21/h2-7,10,19H,8-9H2,1H3,(H2,20,21)/b19-16+.
What are the key properties of 4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide?
4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide has a molecular weight of 284.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(4-methylphenyl)phenyl]-4-iminobutanamide is sourced from PubChem (CID 167054887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).