N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide

C15H10ClF3N2O3S — CID 58237789

IUPACN-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
SMILESO=C(C/C(=N/NC(=O)c1ccccc1O)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C15H10ClF3N2O3S/c16-13-6-5-11(25-13)10(23)7-12(15(17,18)19)20-21-14(24)8-3-1-2-4-9(8)22/h1-6,22H,7H2,(H,21,24)/b20-12-
InChIKeyJJZOAIGFCYMUDX-NDENLUEZSA-N
MW390.77 g/mol
LogP4.03
Rot. Bonds5

About N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide

N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide (PubChem CID 58237789) has the molecular formula C15H10ClF3N2O3S and a molecular weight of 390.77 g/mol. Its IUPAC name is N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
PubChem CID58237789
Molecular FormulaC15H10ClF3N2O3S
Molecular Weight390.77 g/mol
Exact Mass390.01
IUPAC NameN-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
SMILESO=C(C/C(=N/NC(=O)c1ccccc1O)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C15H10ClF3N2O3S/c16-13-6-5-11(25-13)10(23)7-12(15(17,18)19)20-21-14(24)8-3-1-2-4-9(8)22/h1-6,22H,7H2,(H,21,24)/b20-12-
InChIKeyJJZOAIGFCYMUDX-NDENLUEZSA-N
XLogP4.03
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.77
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide (CID 58237789) is N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide is O=C(C/C(=N/NC(=O)c1ccccc1O)C(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide?
The InChIKey is JJZOAIGFCYMUDX-NDENLUEZSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3S/c16-13-6-5-11(25-13)10(23)7-12(15(17,18)19)20-21-14(24)8-3-1-2-4-9(8)22/h1-6,22H,7H2,(H,21,24)/b20-12-.
What are the key properties of N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide?
N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide has a molecular weight of 390.77 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(5-chlorothiophen-2-yl)-1,1,1-trifluoro-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide is sourced from PubChem (CID 58237789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).