[(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate

C18H12ClFN2O2S — CID 134096488

IUPAC[(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)O/N=C(/c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H12ClFN2O2S/c19-13-5-9-15(10-6-13)21-18(23)24-22-17(16-2-1-11-25-16)12-3-7-14(20)8-4-12/h1-11H,(H,21,23)/b22-17-
InChIKeyAJZMUSAXVUNBFW-XLNRJJMWSA-N
MW374.82 g/mol
LogP5.54
Rot. Bonds4

About [(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate

[(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate (PubChem CID 134096488) has the molecular formula C18H12ClFN2O2S and a molecular weight of 374.82 g/mol. Its IUPAC name is [(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate
PubChem CID134096488
Molecular FormulaC18H12ClFN2O2S
Molecular Weight374.82 g/mol
Exact Mass374.03
IUPAC Name[(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)O/N=C(/c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H12ClFN2O2S/c19-13-5-9-15(10-6-13)21-18(23)24-22-17(16-2-1-11-25-16)12-3-7-14(20)8-4-12/h1-11H,(H,21,23)/b22-17-
InChIKeyAJZMUSAXVUNBFW-XLNRJJMWSA-N
XLogP5.54
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.82
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 [(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate?
The IUPAC name of [(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate (CID 134096488) is [(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate.
What is the SMILES notation for [(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate?
The canonical SMILES for [(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)O/N=C(/c1ccc(F)cc1)c1cccs1.
What is the InChIKey of [(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate?
The InChIKey is AJZMUSAXVUNBFW-XLNRJJMWSA-N. The full InChI is InChI=1S/C18H12ClFN2O2S/c19-13-5-9-15(10-6-13)21-18(23)24-22-17(16-2-1-11-25-16)12-3-7-14(20)8-4-12/h1-11H,(H,21,23)/b22-17-.
What are the key properties of [(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate?
[(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate has a molecular weight of 374.82 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(4-fluorophenyl)-thiophen-2-ylmethylidene]amino] N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 134096488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).