N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide

C17H15FN2O2 — CID 143784041

IUPACN-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)/N=C(\N)c2ccc(C=O)c(F)c2)cc1C
InChIInChI=1S/C17H15FN2O2/c1-10-3-4-13(7-11(10)2)17(22)20-16(19)12-5-6-14(9-21)15(18)8-12/h3-9H,1-2H3,(H2,19,20,22)
InChIKeyIVVFUWKDCDXHDY-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.80
Rot. Bonds3

About N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide

N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide (PubChem CID 143784041) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide
PubChem CID143784041
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC NameN-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)/N=C(\N)c2ccc(C=O)c(F)c2)cc1C
InChIInChI=1S/C17H15FN2O2/c1-10-3-4-13(7-11(10)2)17(22)20-16(19)12-5-6-14(9-21)15(18)8-12/h3-9H,1-2H3,(H2,19,20,22)
InChIKeyIVVFUWKDCDXHDY-UHFFFAOYSA-N
XLogP2.80
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide 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

m-Tolylbenzoylguanidin
CID 18945147
N-(diaminomethylidene)-2-methyl-5-(trifluoromethyl)benzamide
CID 18925623
N-(diaminomethylidene)-2-propyl-5-(trifluoromethyl)benzamide
CID 18925631
N-(diaminomethylidene)-2-fluoro-4-methyl-3-(trifluoromethyl)benzamide
CID 18925735
N-(diaminomethylidene)-2-ethyl-5-(trifluoromethyl)benzamide
CID 18925762
N-(diaminomethylidene)-3-(3-fluorophenyl)benzamide
CID 18945182
N-(diaminomethylidene)-3-[2-(trifluoromethyl)phenyl]benzamide
CID 18945210
N-(diaminomethylidene)-3-(2-fluorophenyl)benzamide
CID 18945216
N-(diaminomethylidene)-3-(4-fluorophenyl)benzamide
CID 18945404
N-(diaminomethylidene)-2-methyl-4-prop-2-enyl-5-(trifluoromethyl)benzamide
CID 19688137
N-(diaminomethylidene)-4-[(E)-hex-2-enyl]-2-methyl-5-(trifluoromethyl)benzamide
CID 19688224
N-(diaminomethylidene)-4-ethenyl-2-methyl-5-(trifluoromethyl)benzamide
CID 19688258

Frequently Asked Questions

What is the IUPAC name of N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide?
The IUPAC name of N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide (CID 143784041) is N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide?
The canonical SMILES for N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide is Cc1ccc(C(=O)/N=C(\N)c2ccc(C=O)c(F)c2)cc1C.
What is the InChIKey of N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide?
The InChIKey is IVVFUWKDCDXHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-10-3-4-13(7-11(10)2)17(22)20-16(19)12-5-6-14(9-21)15(18)8-12/h3-9H,1-2H3,(H2,19,20,22).
What are the key properties of N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide?
N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide has a molecular weight of 298.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(3-fluoro-4-formylphenyl)methylidene]-3,4-dimethylbenzamide is sourced from PubChem (CID 143784041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).