[(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate

C21H15FN2O3 — CID 4279498

IUPAC[(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)ON=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15FN2O3/c22-17-11-13-18(14-12-17)23-21(26)27-24-19(15-7-3-1-4-8-15)20(25)16-9-5-2-6-10-16/h1-14H,(H,23,26)
InChIKeyVGPFUGSZXMWZTE-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.66
Rot. Bonds5

About [(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate

[(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate (PubChem CID 4279498) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is [(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate
PubChem CID4279498
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC Name[(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)ON=C(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15FN2O3/c22-17-11-13-18(14-12-17)23-21(26)27-24-19(15-7-3-1-4-8-15)20(25)16-9-5-2-6-10-16/h1-14H,(H,23,26)
InChIKeyVGPFUGSZXMWZTE-UHFFFAOYSA-N
XLogP4.66
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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)-1-chlorobutylideneamino] N-(4-fluorophenyl)carbamate
CID 5466258
[(E)-[2-(4-fluoroanilino)-1-phenyl-2-sulfanylideneethylidene]amino]urea
CID 95240440
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
[(E)-(2-hydroxy-1,2-diphenylethylidene)amino] N-phenylcarbamate
CID 6371713
[[amino-(3-methylphenyl)methylidene]amino] N-phenylcarbamate
CID 71329912
1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea
CID 972849
2-chloro-N-(4-fluorophenyl)-3-oxo-3-phenylpropanamide
CID 4736856
[(E)-[phenyl(pyridin-4-yl)methylidene]amino] N-(4-methoxyphenyl)carbamate
CID 5340818
[(Z)-[2-oxo-1-phenyl-2-(4-phenylsulfanylphenyl)ethylidene]amino] acetate
CID 90823114
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
(2S,3S)-2,3-dibenzoyloxy-4-(4-fluoroanilino)-4-oxobutanoic acid
CID 41301838
[1-(3-phenylphenyl)ethylideneamino] N-(4-methoxyphenyl)carbamate
CID 75034418

Frequently Asked Questions

What is the IUPAC name of [(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate?
The IUPAC name of [(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate (CID 4279498) is [(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)ON=C(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate?
The InChIKey is VGPFUGSZXMWZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c22-17-11-13-18(14-12-17)23-21(26)27-24-19(15-7-3-1-4-8-15)20(25)16-9-5-2-6-10-16/h1-14H,(H,23,26).
What are the key properties of [(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate?
[(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate has a molecular weight of 362.36 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-oxo-1,2-diphenylethylidene)amino] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 4279498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).