4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide

C19H21FN2O2 — CID 3046782

IUPAC4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCC/N=C(\c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C19H21FN2O2/c1-22(2)18(24)9-6-12-21-19(14-7-4-3-5-8-14)16-13-15(20)10-11-17(16)23/h3-5,7-8,10-11,13,23H,6,9,12H2,1-2H3/b21-19+
InChIKeyIQZRYSKZXSEXME-XUTLUUPISA-N
MW328.39 g/mol
LogP3.24
Rot. Bonds6

About 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide

4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide (PubChem CID 3046782) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide
PubChem CID3046782
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCC/N=C(\c1ccccc1)c1cc(F)ccc1O
InChIInChI=1S/C19H21FN2O2/c1-22(2)18(24)9-6-12-21-19(14-7-4-3-5-8-14)16-13-15(20)10-11-17(16)23/h3-5,7-8,10-11,13,23H,6,9,12H2,1-2H3/b21-19+
InChIKeyIQZRYSKZXSEXME-XUTLUUPISA-N
XLogP3.24
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate
CID 135624084
4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 137013229
4-fluoro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 138548283
2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol
CID 3029854
sodium 6-[[(2-hydroxyphenyl)-phenylmethylidene]amino]hexanoate
CID 135770205
4-[[(2-chlorophenyl)-(2-hydroxy-5-methylphenyl)methylidene]amino]butanoic acid
CID 3046774
N-[(2-chlorophenyl)methyl]-5-fluoro-2-hydroxy-N-methylbenzamide
CID 79532591
N,N-dimethyl-8-oxo-8-phenyloctanamide
CID 58982119
5-fluoro-2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 79882419
N-(5-bromopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206223
4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid
CID 3025647
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide (CID 3046782) is 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide is CN(C)C(=O)CCC/N=C(\c1ccccc1)c1cc(F)ccc1O.
What is the InChIKey of 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide?
The InChIKey is IQZRYSKZXSEXME-XUTLUUPISA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-22(2)18(24)9-6-12-21-19(14-7-4-3-5-8-14)16-13-15(20)10-11-17(16)23/h3-5,7-8,10-11,13,23H,6,9,12H2,1-2H3/b21-19+.
What are the key properties of 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide?
4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide has a molecular weight of 328.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 3046782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).