N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide

C18H20FN3O2 — CID 135642474

IUPACN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C18H20FN3O2/c1-3-22(4-2)16-10-7-14(17(23)11-16)12-20-21-18(24)13-5-8-15(19)9-6-13/h5-12,23H,3-4H2,1-2H3,(H,21,24)/b20-12-
InChIKeyVUSKOYHTQMJAMU-NDENLUEZSA-N
MW329.38 g/mol
LogP3.14
Rot. Bonds6

About N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide

N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide (PubChem CID 135642474) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
PubChem CID135642474
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2ccc(F)cc2)c(O)c1
InChIInChI=1S/C18H20FN3O2/c1-3-22(4-2)16-10-7-14(17(23)11-16)12-20-21-18(24)13-5-8-15(19)9-6-13/h5-12,23H,3-4H2,1-2H3,(H,21,24)/b20-12-
InChIKeyVUSKOYHTQMJAMU-NDENLUEZSA-N
XLogP3.14
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide
CID 155812617
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 3370614
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 135781530
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 135643232
3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 137122867
4-tert-butyl-N-[(E)-[5-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 135503184
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 136803227
2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 2315436

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide (CID 135642474) is N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide is CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(F)cc2)c(O)c1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide?
The InChIKey is VUSKOYHTQMJAMU-NDENLUEZSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-3-22(4-2)16-10-7-14(17(23)11-16)12-20-21-18(24)13-5-8-15(19)9-6-13/h5-12,23H,3-4H2,1-2H3,(H,21,24)/b20-12-.
What are the key properties of N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide?
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide has a molecular weight of 329.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 135642474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).