N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide

C22H17FN2O2 — CID 143784128

IUPACN-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1ccc(C(=O)/N=C(\N)c2ccc(C=O)c(F)c2)cc1
InChIInChI=1S/C22H17FN2O2/c1-14-4-2-3-5-19(14)15-6-8-16(9-7-15)22(27)25-21(24)17-10-11-18(13-26)20(23)12-17/h2-13H,1H3,(H2,24,25,27)
InChIKeyVICHDFPBDQNFOD-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.16
Rot. Bonds4

About N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide

N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide (PubChem CID 143784128) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide
PubChem CID143784128
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC NameN-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide
SMILESCc1ccccc1-c1ccc(C(=O)/N=C(\N)c2ccc(C=O)c(F)c2)cc1
InChIInChI=1S/C22H17FN2O2/c1-14-4-2-3-5-19(14)15-6-8-16(9-7-15)22(27)25-21(24)17-10-11-18(13-26)20(23)12-17/h2-13H,1H3,(H2,24,25,27)
InChIKeyVICHDFPBDQNFOD-UHFFFAOYSA-N
XLogP4.16
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.16
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'}

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Related Compounds

N-(diaminomethylidene)-8-(4-fluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 25190265
N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 25190327
N-(diaminomethylidene)-8-(2,6-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 25190379
(E)-3-[2-(4-carbamimidoyl-3-fluorophenyl)phenyl]-N-(diaminomethylidene)-2-methylprop-2-enamide
CID 58214806
N-(diaminomethylidene)-8-(2-fluorophenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
CID 58406429
N-(diaminomethylidene)-8-(4,5-difluoro-2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 58406509
N-(diaminomethylidene)-8-(2,3-difluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 58406515
N-(diaminomethylidene)-8-(2,3,4-trifluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 58406590
N-(diaminomethylidene)-8-(2-fluoro-4-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
CID 58406610
N-(diaminomethylidene)-8-(4-fluoro-2-methylphenyl)-7-methyl-5,6-dihydronaphthalene-2-carboxamide
CID 58406662
N-(diaminomethylidene)-8-(2,3,6-trifluorophenyl)-5,6-dihydronaphthalene-2-carboxamide
CID 58406677
N-(diaminomethylidene)-5,5-dimethyl-8-(2,4,6-trifluorophenyl)-6H-naphthalene-2-carboxamide
CID 58406683

Frequently Asked Questions

What is the IUPAC name of N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide?
The IUPAC name of N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide (CID 143784128) is N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide.
What is the SMILES notation for N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide?
The canonical SMILES for N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide is Cc1ccccc1-c1ccc(C(=O)/N=C(\N)c2ccc(C=O)c(F)c2)cc1.
What is the InChIKey of N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide?
The InChIKey is VICHDFPBDQNFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-14-4-2-3-5-19(14)15-6-8-16(9-7-15)22(27)25-21(24)17-10-11-18(13-26)20(23)12-17/h2-13H,1H3,(H2,24,25,27).
What are the key properties of N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide?
N-[amino-(3-fluoro-4-formylphenyl)methylidene]-4-(2-methylphenyl)benzamide has a molecular weight of 360.39 g/mol, XLogP of 4.16, 4 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]-4-(2-methylphenyl)benzamide is sourced from PubChem (CID 143784128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).