N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide

C19H20FN3O3 — CID 135824450

IUPACN-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide
SMILESCCCC(=O)Nc1ccc(O)c(/C(C)=N/NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3O3/c1-3-4-18(25)21-15-9-10-17(24)16(11-15)12(2)22-23-19(26)13-5-7-14(20)8-6-13/h5-11,24H,3-4H2,1-2H3,(H,21,25)(H,23,26)/b22-12+
InChIKeyRWDPYRZHWLQLDN-WSDLNYQXSA-N
MW357.39 g/mol
LogP3.42
Rot. Bonds6

About N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide

N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide (PubChem CID 135824450) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide
PubChem CID135824450
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide
SMILESCCCC(=O)Nc1ccc(O)c(/C(C)=N/NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3O3/c1-3-4-18(25)21-15-9-10-17(24)16(11-15)12(2)22-23-19(26)13-5-7-14(20)8-6-13/h5-11,24H,3-4H2,1-2H3,(H,21,25)(H,23,26)/b22-12+
InChIKeyRWDPYRZHWLQLDN-WSDLNYQXSA-N
XLogP3.42
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-tert-butylbenzamide
CID 135811520
N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-3,5-dimethoxybenzamide
CID 135749482
N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 135771135
N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 135730809
N-[4-hydroxy-3-[(E)-C-methyl-N-(prop-2-enylcarbamothioylamino)carbonimidoyl]phenyl]butanamide
CID 135731077
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 3380721
N-[4-hydroxy-3-[(E)-N-[[(2R)-1-methoxypropan-2-yl]carbamothioylamino]-C-methylcarbonimidoyl]phenyl]butanamide
CID 135784671
N-[3-[(E)-N-(1H-benzimidazol-2-ylamino)-C-methylcarbonimidoyl]-4-hydroxyphenyl]butanamide
CID 135730875
4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide
CID 913667
4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide
CID 17271977
N-[4-hydroxy-3-[(E)-C-methyl-N-(2-morpholin-4-ylethylcarbamothioylamino)carbonimidoyl]phenyl]butanamide
CID 135689849

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide (CID 135824450) is N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide is CCCC(=O)Nc1ccc(O)c(/C(C)=N/NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide?
The InChIKey is RWDPYRZHWLQLDN-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-3-4-18(25)21-15-9-10-17(24)16(11-15)12(2)22-23-19(26)13-5-7-14(20)8-6-13/h5-11,24H,3-4H2,1-2H3,(H,21,25)(H,23,26)/b22-12+.
What are the key properties of N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide?
N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide has a molecular weight of 357.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[5-(butanoylamino)-2-hydroxyphenyl]ethylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 135824450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).