N-hydroxy-4-pentylbenzenecarboximidoyl chloride

C12H16ClNO — CID 145299970

IUPACN-hydroxy-4-pentylbenzenecarboximidoyl chloride
SMILESCCCCCc1ccc(C(Cl)=NO)cc1
InChIInChI=1S/C12H16ClNO/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14-15/h6-9,15H,2-5H2,1H3
InChIKeyGVKXPQPVMWWDLF-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.79
Rot. Bonds5

About N-hydroxy-4-pentylbenzenecarboximidoyl chloride

N-hydroxy-4-pentylbenzenecarboximidoyl chloride (PubChem CID 145299970) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-hydroxy-4-pentylbenzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-4-pentylbenzenecarboximidoyl chloride
PubChem CID145299970
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-hydroxy-4-pentylbenzenecarboximidoyl chloride
SMILESCCCCCc1ccc(C(Cl)=NO)cc1
InChIInChI=1S/C12H16ClNO/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14-15/h6-9,15H,2-5H2,1H3
InChIKeyGVKXPQPVMWWDLF-UHFFFAOYSA-N
XLogP3.79
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

4-butyl-N'-hydroxybenzenecarboximidamide
CID 7018220
1-(4-pentylphenyl)ethanethione
CID 145379251
4-pentylbenzoyl bromide
CID 87349955
1-butyl-4-nonylbenzene
CID 59545302
1-(2-chloroprop-2-enyl)-4-pentylbenzene
CID 24721931
(4-pentylbenzoyl) 4-pentylbenzoate
CID 12513442
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
(2R)-2-chloro-1-(4-hexylphenyl)propan-1-one
CID 2434866
3-chloro-1-(4-heptylphenyl)propan-1-one
CID 18475165
2-chloro-1-(4-pentylphenyl)butan-1-one
CID 146007790
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-pentylbenzenecarboximidoyl chloride?
The IUPAC name of N-hydroxy-4-pentylbenzenecarboximidoyl chloride (CID 145299970) is N-hydroxy-4-pentylbenzenecarboximidoyl chloride.
What is the SMILES notation for N-hydroxy-4-pentylbenzenecarboximidoyl chloride?
The canonical SMILES for N-hydroxy-4-pentylbenzenecarboximidoyl chloride is CCCCCc1ccc(C(Cl)=NO)cc1.
What is the InChIKey of N-hydroxy-4-pentylbenzenecarboximidoyl chloride?
The InChIKey is GVKXPQPVMWWDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14-15/h6-9,15H,2-5H2,1H3.
What are the key properties of N-hydroxy-4-pentylbenzenecarboximidoyl chloride?
N-hydroxy-4-pentylbenzenecarboximidoyl chloride has a molecular weight of 225.72 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-pentylbenzenecarboximidoyl chloride is sourced from PubChem (CID 145299970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).