(fluoren-9-ylideneamino) 2-chloro-2-oxoacetate

C15H8ClNO3 — CID 14785661

IUPAC(fluoren-9-ylideneamino) 2-chloro-2-oxoacetate
SMILESO=C(Cl)C(=O)ON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H8ClNO3/c16-14(18)15(19)20-17-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
InChIKeyXZMMMWJHHMGBDC-UHFFFAOYSA-N
MW285.69 g/mol
LogP2.73
Rot. Bonds2

About (fluoren-9-ylideneamino) 2-chloro-2-oxoacetate

(fluoren-9-ylideneamino) 2-chloro-2-oxoacetate (PubChem CID 14785661) has the molecular formula C15H8ClNO3 and a molecular weight of 285.69 g/mol. Its IUPAC name is (fluoren-9-ylideneamino) 2-chloro-2-oxoacetate.

Molecular Properties

Compound Name(fluoren-9-ylideneamino) 2-chloro-2-oxoacetate
PubChem CID14785661
Molecular FormulaC15H8ClNO3
Molecular Weight285.69 g/mol
Exact Mass285.02
IUPAC Name(fluoren-9-ylideneamino) 2-chloro-2-oxoacetate
SMILESO=C(Cl)C(=O)ON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H8ClNO3/c16-14(18)15(19)20-17-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
InChIKeyXZMMMWJHHMGBDC-UHFFFAOYSA-N
XLogP2.73
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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

1-O-benzyl 2-O-(fluoren-9-ylideneamino) oxalate
CID 10498532
(fluoren-9-ylideneamino) N-(4-methoxyphenyl)carbamate
CID 748240
methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate
CID 11748451
(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino) 2-chlorobenzoate
CID 4210532
2-(fluoren-9-ylideneamino)oxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7697671
(fluoren-9-ylideneamino) sulfate
CID 3696865
benzyl 2-chloro-2-oxoacetate
CID 11019858
biphenylene;propan-2-one
CID 174440223
[(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate
CID 171978500
(2S)-2-[[(2R)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]azaniumyl]propanoate
CID 2147181
[(Z)-(2-oxo-1H-indol-3-ylidene)amino] acetate
CID 136661922
anthracene-9,10-dione;carbonochloridic acid
CID 88712965

Frequently Asked Questions

What is the IUPAC name of (fluoren-9-ylideneamino) 2-chloro-2-oxoacetate?
The IUPAC name of (fluoren-9-ylideneamino) 2-chloro-2-oxoacetate (CID 14785661) is (fluoren-9-ylideneamino) 2-chloro-2-oxoacetate.
What is the SMILES notation for (fluoren-9-ylideneamino) 2-chloro-2-oxoacetate?
The canonical SMILES for (fluoren-9-ylideneamino) 2-chloro-2-oxoacetate is O=C(Cl)C(=O)ON=C1c2ccccc2-c2ccccc21.
What is the InChIKey of (fluoren-9-ylideneamino) 2-chloro-2-oxoacetate?
The InChIKey is XZMMMWJHHMGBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClNO3/c16-14(18)15(19)20-17-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H.
What are the key properties of (fluoren-9-ylideneamino) 2-chloro-2-oxoacetate?
(fluoren-9-ylideneamino) 2-chloro-2-oxoacetate has a molecular weight of 285.69 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (fluoren-9-ylideneamino) 2-chloro-2-oxoacetate is sourced from PubChem (CID 14785661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).