(1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride

C13H10ClNO2 — CID 16641018

IUPAC(1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride
SMILESO/N=C(\Cl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H10ClNO2/c14-13(15-16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9,16H/b15-13-
InChIKeyWFTRHYPZWHCURS-SQFISAMPSA-N
MW247.68 g/mol
LogP3.85
Rot. Bonds3

About (1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride

(1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride (PubChem CID 16641018) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is (1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride
PubChem CID16641018
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name(1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride
SMILESO/N=C(\Cl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C13H10ClNO2/c14-13(15-16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9,16H/b15-13-
InChIKeyWFTRHYPZWHCURS-SQFISAMPSA-N
XLogP3.85
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[chloro-(4-phenoxyphenyl)methylidene]amino] methanesulfonate
CID 134122638
4-phenoxybenzoic acid;hydrochloride
CID 70385625
(4-phenoxyphenyl) N-hydroxyethanimidate
CID 173403017
chlorobenzene;phenoxybenzene
CID 66911253
(NE)-N-[1-(4-phenoxyphenyl)-4-sulfanylbutylidene]hydroxylamine
CID 88955667
4-phenoxybenzoyl bromide
CID 116924551
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949
1-(1-fluoroethenyl)-4-phenoxybenzene
CID 170308040
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
4-phenoxybenzoyl cyanide
CID 20510497
4-(4-phenylphenoxy)benzoyl chloride
CID 23319474
potassium phenoxybenzene
CID 19858586

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride?
The IUPAC name of (1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride (CID 16641018) is (1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride is O/N=C(\Cl)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride?
The InChIKey is WFTRHYPZWHCURS-SQFISAMPSA-N. The full InChI is InChI=1S/C13H10ClNO2/c14-13(15-16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9,16H/b15-13-.
What are the key properties of (1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride?
(1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride has a molecular weight of 247.68 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-hydroxy-4-phenoxybenzenecarboximidoyl chloride is sourced from PubChem (CID 16641018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).