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

C18H19FN2O3 — CID 20872751

IUPAC[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
SMILESCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-3-12-23-17-10-8-16(9-11-17)21-18(22)24-20-13-14-4-6-15(19)7-5-14/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-13+
InChIKeyTUBGAHMSUYZNEG-DEDYPNTBSA-N
MW330.36 g/mol
LogP4.59
Rot. Bonds7

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

[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate (PubChem CID 20872751) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is [(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate.

Molecular Properties

Compound Name[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
PubChem CID20872751
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate
SMILESCCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O3/c1-2-3-12-23-17-10-8-16(9-11-17)21-18(22)24-20-13-14-4-6-15(19)7-5-14/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-13+
InChIKeyTUBGAHMSUYZNEG-DEDYPNTBSA-N
XLogP4.59
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.59
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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Related Compounds

[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate
CID 20872766
[(E)-[4-(trifluoromethyl)phenyl]methylideneamino] N-(4-nonoxyphenyl)carbamate
CID 20872776
N-(4-dodecoxyphenyl)-2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetamide
CID 142272575
[(E)-pyridin-3-ylmethylideneamino] N-(4-hexoxyphenyl)carbamate
CID 20872724
N-(4-fluorophenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988930
[(E)-pyridin-3-ylmethylideneamino] N-(4-propoxyphenyl)carbamate
CID 20872731
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
(3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea
CID 142272573
(1-chloroethylideneamino) N-(4-butoxyphenyl)carbamate
CID 3372867
(propan-2-ylideneamino) N-(4-nonoxyphenyl)carbamate
CID 20872821

Frequently Asked Questions

What is the IUPAC name of [(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate?
The IUPAC name of [(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate (CID 20872751) is [(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate.
What is the SMILES notation for [(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate?
The canonical SMILES for [(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate is CCCCOc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1.
What is the InChIKey of [(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate?
The InChIKey is TUBGAHMSUYZNEG-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-3-12-23-17-10-8-16(9-11-17)21-18(22)24-20-13-14-4-6-15(19)7-5-14/h4-11,13H,2-3,12H2,1H3,(H,21,22)/b20-13+.
What are the key properties of [(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate?
[(E)-(4-fluorophenyl)methylideneamino] N-(4-butoxyphenyl)carbamate has a molecular weight of 330.36 g/mol, XLogP of 4.59, 7 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-butoxyphenyl)carbamate is sourced from PubChem (CID 20872751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).