[4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde

C23H20FNO3 — CID 143730124

IUPAC[4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde
SMILESC=O.Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(F)c(C)c3)cc2)cc1
InChIInChI=1S/C22H18FNO2.CH2O/c1-15-3-7-18(8-4-15)22(25)26-20-10-5-17(6-11-20)14-24-19-9-12-21(23)16(2)13-19;1-2/h3-14H,1-2H3;1H2/b24-14+;
InChIKeyRBLOLOYPGWPBND-SXMBIPSUSA-N
MW377.42 g/mol
LogP5.23
Rot. Bonds4

About [4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde

[4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde (PubChem CID 143730124) has the molecular formula C23H20FNO3 and a molecular weight of 377.42 g/mol. Its IUPAC name is [4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde.

Molecular Properties

Compound Name[4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde
PubChem CID143730124
Molecular FormulaC23H20FNO3
Molecular Weight377.42 g/mol
Exact Mass377.14
IUPAC Name[4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde
SMILESC=O.Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(F)c(C)c3)cc2)cc1
InChIInChI=1S/C22H18FNO2.CH2O/c1-15-3-7-18(8-4-15)22(25)26-20-10-5-17(6-11-20)14-24-19-9-12-21(23)16(2)13-19;1-2/h3-14H,1-2H3;1H2/b24-14+;
InChIKeyRBLOLOYPGWPBND-SXMBIPSUSA-N
XLogP5.23
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.42
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl) 4-[(4-methylphenyl)methylideneamino]benzoate
CID 102302331
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-bromobenzoate
CID 102305242
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(trifluoromethyl)benzoate
CID 102305246
[4-[(4-methylphenyl)iminomethyl]phenyl] 4-(dimethylamino)benzoate
CID 102305243
(4-methoxyphenyl) 4-[(4-methoxyphenyl)methylideneamino]benzoate
CID 102302326
[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate
CID 102453857
[4-[(4-chlorophenyl)iminomethyl]phenyl] benzoate
CID 691027
[4-(methylideneamino)phenyl] 4-methylbenzoate
CID 59871820
(4-methylphenyl) 4-[(4-formylphenyl)diazenyl]benzoate
CID 145376836
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
(3-fluoro-4-methylphenyl) 4-methylbenzoate
CID 22944687
ethane;[4-[(4-methylphenyl)diazenyl]phenyl] 4-methylbenzoate
CID 145376493

Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde?
The IUPAC name of [4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde (CID 143730124) is [4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde.
What is the SMILES notation for [4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde?
The canonical SMILES for [4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde is C=O.Cc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(F)c(C)c3)cc2)cc1.
What is the InChIKey of [4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde?
The InChIKey is RBLOLOYPGWPBND-SXMBIPSUSA-N. The full InChI is InChI=1S/C22H18FNO2.CH2O/c1-15-3-7-18(8-4-15)22(25)26-20-10-5-17(6-11-20)14-24-19-9-12-21(23)16(2)13-19;1-2/h3-14H,1-2H3;1H2/b24-14+;.
What are the key properties of [4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde?
[4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde has a molecular weight of 377.42 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluoro-3-methylphenyl)iminomethyl]phenyl] 4-methylbenzoate;formaldehyde is sourced from PubChem (CID 143730124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).