(4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one

C23H20FNO — CID 143527526

IUPAC(4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one
SMILES[H]/N=C(/Cc1ccccc1)C(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H20FNO/c1-16(23(26)22(25)14-17-8-4-2-5-9-17)19-12-13-20(21(24)15-19)18-10-6-3-7-11-18/h2-13,15-16,25H,14H2,1H3/b25-22-/t16-/m1/s1
InChIKeyGGEBHFYPGYRCQM-WGJYXZIMSA-N
MW345.42 g/mol
LogP5.43
Rot. Bonds6

About (4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one

(4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one (PubChem CID 143527526) has the molecular formula C23H20FNO and a molecular weight of 345.42 g/mol. Its IUPAC name is (4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one.

Molecular Properties

Compound Name(4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one
PubChem CID143527526
Molecular FormulaC23H20FNO
Molecular Weight345.42 g/mol
Exact Mass345.15
IUPAC Name(4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one
SMILES[H]/N=C(/Cc1ccccc1)C(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C23H20FNO/c1-16(23(26)22(25)14-17-8-4-2-5-9-17)19-12-13-20(21(24)15-19)18-10-6-3-7-11-18/h2-13,15-16,25H,14H2,1H3/b25-22-/t16-/m1/s1
InChIKeyGGEBHFYPGYRCQM-WGJYXZIMSA-N
XLogP5.43
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-Fluoro-4-biphenylyl)-5-phenylpentan-2-one
CID 19591605
4-[4-(4-Fluorophenyl)phenyl]cyclohexan-1-one
CID 21464632
2-[2,3-Difluoro-4-(4-propylcyclohexyl)phenyl]cyclohexan-1-one
CID 54076959
3-Imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56985728
3-Imino-4-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56991004
2-(3-Fluoro-2-iodophenyl)-3-imino-5-phenylcyclopentan-1-one
CID 56992192
3-Imino-2-[4-methyl-3-(trifluoromethyl)phenyl]-5-phenylcyclopentan-1-one
CID 57061320
3-(5-Fluoro-2-methylphenyl)-5-iminocyclohexan-1-one
CID 57129853
3-(2-Fluoro-5-methylphenyl)-5-iminocyclohexan-1-one
CID 57191492
3-Imino-5-(3-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57219402
2-[2-Fluoro-5-(trifluoromethyl)phenyl]-3-imino-5-phenylcyclopentan-1-one
CID 57249950
5-(4-Fluorophenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57269890

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one?
The IUPAC name of (4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one (CID 143527526) is (4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one.
What is the SMILES notation for (4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one?
The canonical SMILES for (4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one is [H]/N=C(/Cc1ccccc1)C(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of (4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one?
The InChIKey is GGEBHFYPGYRCQM-WGJYXZIMSA-N. The full InChI is InChI=1S/C23H20FNO/c1-16(23(26)22(25)14-17-8-4-2-5-9-17)19-12-13-20(21(24)15-19)18-10-6-3-7-11-18/h2-13,15-16,25H,14H2,1H3/b25-22-/t16-/m1/s1.
What are the key properties of (4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one?
(4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one has a molecular weight of 345.42 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-fluoro-4-phenylphenyl)-2-imino-1-phenylpentan-3-one is sourced from PubChem (CID 143527526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).