N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide

C23H16F7N3O3 — CID 28692623

IUPACN-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
SMILESC/C(=N/NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C23H16F7N3O3/c1-12(32-33-19(35)18-16-8-3-2-5-13(16)9-10-17(18)34)14-6-4-7-15(11-14)31-20(36)21(24,25)22(26,27)23(28,29)30/h2-11,34H,1H3,(H,31,36)(H,33,35)/b32-12-
InChIKeySOUZIWPDSKFWTB-ULTCEKQJSA-N
MW515.39 g/mol
LogP5.47
Rot. Bonds6

About N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide

N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide (PubChem CID 28692623) has the molecular formula C23H16F7N3O3 and a molecular weight of 515.39 g/mol. Its IUPAC name is N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
PubChem CID28692623
Molecular FormulaC23H16F7N3O3
Molecular Weight515.39 g/mol
Exact Mass515.11
IUPAC NameN-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
SMILESC/C(=N/NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C23H16F7N3O3/c1-12(32-33-19(35)18-16-8-3-2-5-13(16)9-10-17(18)34)14-6-4-7-15(11-14)31-20(36)21(24,25)22(26,27)23(28,29)30/h2-11,34H,1H3,(H,31,36)(H,33,35)/b32-12-
InChIKeySOUZIWPDSKFWTB-ULTCEKQJSA-N
XLogP5.47
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.39
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide (CID 28692623) is N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide is C/C(=N/NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide?
The InChIKey is SOUZIWPDSKFWTB-ULTCEKQJSA-N. The full InChI is InChI=1S/C23H16F7N3O3/c1-12(32-33-19(35)18-16-8-3-2-5-13(16)9-10-17(18)34)14-6-4-7-15(11-14)31-20(36)21(24,25)22(26,27)23(28,29)30/h2-11,34H,1H3,(H,31,36)(H,33,35)/b32-12-.
What are the key properties of N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide?
N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide has a molecular weight of 515.39 g/mol, XLogP of 5.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)phenyl]ethylideneamino]-2-hydroxynaphthalene-1-carboxamide is sourced from PubChem (CID 28692623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).