N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide

C19H21FN2O — CID 6183873

IUPACN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H21FN2O/c1-13(14-5-9-16(10-6-14)19(2,3)4)21-22-18(23)15-7-11-17(20)12-8-15/h5-12H,1-4H3,(H,22,23)/b21-13-
InChIKeySGDNHNPLEPNMLF-BKUYFWCQSA-N
MW312.39 g/mol
LogP4.28
Rot. Bonds3

About N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide

N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide (PubChem CID 6183873) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
PubChem CID6183873
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H21FN2O/c1-13(14-5-9-16(10-6-14)19(2,3)4)21-22-18(23)15-7-11-17(20)12-8-15/h5-12H,1-4H3,(H,22,23)/b21-13-
InChIKeySGDNHNPLEPNMLF-BKUYFWCQSA-N
XLogP4.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
4-tert-butyl-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4061369
N-[1-(4-fluorophenyl)ethylideneamino]-4-propan-2-ylbenzamide
CID 5112847
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 7334337
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3,4,5-trihydroxybenzamide
CID 6089848
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide (CID 6183873) is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide is C/C(=N/NC(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide?
The InChIKey is SGDNHNPLEPNMLF-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-13(14-5-9-16(10-6-14)19(2,3)4)21-22-18(23)15-7-11-17(20)12-8-15/h5-12H,1-4H3,(H,22,23)/b21-13-.
What are the key properties of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide?
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide has a molecular weight of 312.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 6183873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).