[(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate

C19H21FN2O3 — CID 20872761

IUPAC[(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate
SMILESCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3/c1-2-3-4-13-24-18-11-9-17(10-12-18)22-19(23)25-21-14-15-5-7-16(20)8-6-15/h5-12,14H,2-4,13H2,1H3,(H,22,23)/b21-14+
InChIKeyIGOHEYVUSMLPPS-KGENOOAVSA-N
MW344.39 g/mol
LogP4.98
Rot. Bonds8

About [(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate

[(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate (PubChem CID 20872761) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is [(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate.

Molecular Properties

Compound Name[(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate
PubChem CID20872761
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name[(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate
SMILESCCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3/c1-2-3-4-13-24-18-11-9-17(10-12-18)22-19(23)25-21-14-15-5-7-16(20)8-6-15/h5-12,14H,2-4,13H2,1H3,(H,22,23)/b21-14+
InChIKeyIGOHEYVUSMLPPS-KGENOOAVSA-N
XLogP4.98
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate?
The IUPAC name of [(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate (CID 20872761) is [(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate.
What is the SMILES notation for [(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate?
The canonical SMILES for [(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate is CCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of [(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate?
The InChIKey is IGOHEYVUSMLPPS-KGENOOAVSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-2-3-4-13-24-18-11-9-17(10-12-18)22-19(23)25-21-14-15-5-7-16(20)8-6-15/h5-12,14H,2-4,13H2,1H3,(H,22,23)/b21-14+.
What are the key properties of [(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate?
[(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate has a molecular weight of 344.39 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-fluorophenyl)methylideneamino] N-(4-pentoxyphenyl)carbamate is sourced from PubChem (CID 20872761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).