(2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide

C28H20ClFN2O2 — CID 136865812

IUPAC(2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(c1ccccc1)c1ccc([C@@H](C(=O)N/C=N/c2ccc(Cl)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H20ClFN2O2/c29-23-12-16-25(17-13-23)31-18-32-28(34)26(20-10-14-24(30)15-11-20)19-6-8-22(9-7-19)27(33)21-4-2-1-3-5-21/h1-18,26H,(H,31,32,34)/t26-/m1/s1
InChIKeyROHWYWYGTPHXSX-AREMUKBSSA-N
MW470.93 g/mol
LogP6.32
Rot. Bonds7

About (2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide

(2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 136865812) has the molecular formula C28H20ClFN2O2 and a molecular weight of 470.93 g/mol. Its IUPAC name is (2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide
PubChem CID136865812
Molecular FormulaC28H20ClFN2O2
Molecular Weight470.93 g/mol
Exact Mass470.12
IUPAC Name(2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(c1ccccc1)c1ccc([C@@H](C(=O)N/C=N/c2ccc(Cl)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H20ClFN2O2/c29-23-12-16-25(17-13-23)31-18-32-28(34)26(20-10-14-24(30)15-11-20)19-6-8-22(9-7-19)27(33)21-4-2-1-3-5-21/h1-18,26H,(H,31,32,34)/t26-/m1/s1
InChIKeyROHWYWYGTPHXSX-AREMUKBSSA-N
XLogP6.32
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.93
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-benzoylphenyl)-2-(4-fluorophenyl)-N-(methoxyiminomethyl)acetamide
CID 135418760
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(4-fluorophenyl)-phenylmethanone
CID 161464622
[4-[(R)-(4-fluorophenyl)-nitrosomethyl]phenyl]-phenylmethanone
CID 95049071
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide
CID 827608
N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide
CID 52916008
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
diphenylmethanone;4-fluoroaniline
CID 174706224
4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7353788
bis(4-fluorophenyl)methanone;chlorobenzene;1-chloro-4-[dichloro-(4-chlorophenyl)methyl]benzene;1-[dichloro-(4-fluorophenyl)methyl]-4-fluorobenzene;methane;tetrachloromethane;hydrate
CID 157326540

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of (2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide (CID 136865812) is (2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for (2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for (2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide is O=C(c1ccccc1)c1ccc([C@@H](C(=O)N/C=N/c2ccc(Cl)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is ROHWYWYGTPHXSX-AREMUKBSSA-N. The full InChI is InChI=1S/C28H20ClFN2O2/c29-23-12-16-25(17-13-23)31-18-32-28(34)26(20-10-14-24(30)15-11-20)19-6-8-22(9-7-19)27(33)21-4-2-1-3-5-21/h1-18,26H,(H,31,32,34)/t26-/m1/s1.
What are the key properties of (2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide?
(2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 470.93 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzoylphenyl)-N-[(4-chlorophenyl)iminomethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 136865812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).