N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide

C22H23FN2O3 — CID 155157885

IUPACN-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide
SMILESO=Cc1cc(C(=O)Nc2ccc(/N=C/CCCC3CCC3)cc2)cc(F)c1O
InChIInChI=1S/C22H23FN2O3/c23-20-13-16(12-17(14-26)21(20)27)22(28)25-19-9-7-18(8-10-19)24-11-2-1-4-15-5-3-6-15/h7-15,27H,1-6H2,(H,25,28)/b24-11+
InChIKeyINYQZNCQJBGZOS-BHGWPJFGSA-N
MW382.44 g/mol
LogP5.27
Rot. Bonds8

About N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide

N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide (PubChem CID 155157885) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide
PubChem CID155157885
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC NameN-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide
SMILESO=Cc1cc(C(=O)Nc2ccc(/N=C/CCCC3CCC3)cc2)cc(F)c1O
InChIInChI=1S/C22H23FN2O3/c23-20-13-16(12-17(14-26)21(20)27)22(28)25-19-9-7-18(8-10-19)24-11-2-1-4-15-5-3-6-15/h7-15,27H,1-6H2,(H,25,28)/b24-11+
InChIKeyINYQZNCQJBGZOS-BHGWPJFGSA-N
XLogP5.27
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-5-formyl-4-hydroxy-N-phenylbenzamide
CID 155143444
3-fluoro-5-formyl-4-hydroxy-N-[4-[(3-methyl-2-methylidenecyclopentylidene)amino]phenyl]benzamide
CID 155155324
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide
CID 155143292
3-fluoro-5-formyl-4-hydroxy-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 155143635
5-acetyl-3-fluoro-2-hydroxybenzaldehyde
CID 170687896
N-[4-(8-azabicyclo[3.2.1]octan-8-yl)phenyl]-3-fluoro-4-hydroxy-5-methoxybenzamide
CID 155620427
4-[(2-cyclobutylacetyl)amino]-3-fluorobenzoic acid
CID 103871804
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
4-cyclohexyl-N-(4-fluoro-3-nitrophenyl)butanamide
CID 2687981
4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
CID 17137638
N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide
CID 106015415
N-(3-amino-4-fluorophenyl)-2-cyclobutylacetamide
CID 103805248

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide?
The IUPAC name of N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide (CID 155157885) is N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide.
What is the SMILES notation for N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide?
The canonical SMILES for N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide is O=Cc1cc(C(=O)Nc2ccc(/N=C/CCCC3CCC3)cc2)cc(F)c1O.
What is the InChIKey of N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide?
The InChIKey is INYQZNCQJBGZOS-BHGWPJFGSA-N. The full InChI is InChI=1S/C22H23FN2O3/c23-20-13-16(12-17(14-26)21(20)27)22(28)25-19-9-7-18(8-10-19)24-11-2-1-4-15-5-3-6-15/h7-15,27H,1-6H2,(H,25,28)/b24-11+.
What are the key properties of N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide?
N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide has a molecular weight of 382.44 g/mol, XLogP of 5.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclobutylbutylideneamino)phenyl]-3-fluoro-5-formyl-4-hydroxybenzamide is sourced from PubChem (CID 155157885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).