2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol

C17H17ClFNO — CID 3061945

IUPAC2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol
SMILESCCCC/N=C(\c1ccc(Cl)cc1)c1cc(F)ccc1O
InChIInChI=1S/C17H17ClFNO/c1-2-3-10-20-17(12-4-6-13(18)7-5-12)15-11-14(19)8-9-16(15)21/h4-9,11,21H,2-3,10H2,1H3/b20-17+
InChIKeyBLBQSSOLFSJYSA-LVZFUZTISA-N
MW305.78 g/mol
LogP4.82
Rot. Bonds5

About 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol

2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol (PubChem CID 3061945) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol
PubChem CID3061945
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol
SMILESCCCC/N=C(\c1ccc(Cl)cc1)c1cc(F)ccc1O
InChIInChI=1S/C17H17ClFNO/c1-2-3-10-20-17(12-4-6-13(18)7-5-12)15-11-14(19)8-9-16(15)21/h4-9,11,21H,2-3,10H2,1H3/b20-17+
InChIKeyBLBQSSOLFSJYSA-LVZFUZTISA-N
XLogP4.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.82
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol?
The IUPAC name of 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol (CID 3061945) is 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol.
What is the SMILES notation for 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol?
The canonical SMILES for 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol is CCCC/N=C(\c1ccc(Cl)cc1)c1cc(F)ccc1O.
What is the InChIKey of 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol?
The InChIKey is BLBQSSOLFSJYSA-LVZFUZTISA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-2-3-10-20-17(12-4-6-13(18)7-5-12)15-11-14(19)8-9-16(15)21/h4-9,11,21H,2-3,10H2,1H3/b20-17+.
What are the key properties of 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol?
2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol has a molecular weight of 305.78 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-butyl-C-(4-chlorophenyl)carbonimidoyl]-4-fluorophenol is sourced from PubChem (CID 3061945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).