2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol

C17H16Cl2FNO — CID 3029854

IUPAC2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol
SMILESCCCC/N=C(\c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1O
InChIInChI=1S/C17H16Cl2FNO/c1-2-3-8-21-17(11-4-6-14(18)15(19)9-11)13-10-12(20)5-7-16(13)22/h4-7,9-10,22H,2-3,8H2,1H3/b21-17+
InChIKeyFEIUZFCHIKOJPP-HEHNFIMWSA-N
MW340.23 g/mol
LogP5.48
Rot. Bonds5

About 2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol

2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol (PubChem CID 3029854) has the molecular formula C17H16Cl2FNO and a molecular weight of 340.23 g/mol. Its IUPAC name is 2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol
PubChem CID3029854
Molecular FormulaC17H16Cl2FNO
Molecular Weight340.23 g/mol
Exact Mass339.06
IUPAC Name2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol
SMILESCCCC/N=C(\c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1O
InChIInChI=1S/C17H16Cl2FNO/c1-2-3-8-21-17(11-4-6-14(18)15(19)9-11)13-10-12(20)5-7-16(13)22/h4-7,9-10,22H,2-3,8H2,1H3/b21-17+
InChIKeyFEIUZFCHIKOJPP-HEHNFIMWSA-N
XLogP5.48
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.23
LogP ≤ 55.48
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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Related Compounds

sodium 4-[[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methylidene]amino]butanoate
CID 135624084
2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol
CID 3061929
4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]-N,N-dimethylbutanamide
CID 3046782
4-fluoro-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 138548283
4-fluoro-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 137013229
1-(5-fluoro-2-hydroxyphenyl)octan-1-one
CID 86007473
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
3,4-dichloro-N,N'-dipropylbenzenecarboximidamide
CID 13354820
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 137191057
4-[[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methylidene]amino]pentanoic acid
CID 3025647
3-chloro-4-fluoro-N'-propylbenzenecarboximidamide
CID 63181342
2-[(E)-C-ethyl-N-[(3,5,6-trichloro-2-pyridinyl)amino]carbonimidoyl]-4-fluorophenol
CID 135758735

Frequently Asked Questions

What is the IUPAC name of 2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol?
The IUPAC name of 2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol (CID 3029854) is 2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol.
What is the SMILES notation for 2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol?
The canonical SMILES for 2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol is CCCC/N=C(\c1ccc(Cl)c(Cl)c1)c1cc(F)ccc1O.
What is the InChIKey of 2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol?
The InChIKey is FEIUZFCHIKOJPP-HEHNFIMWSA-N. The full InChI is InChI=1S/C17H16Cl2FNO/c1-2-3-8-21-17(11-4-6-14(18)15(19)9-11)13-10-12(20)5-7-16(13)22/h4-7,9-10,22H,2-3,8H2,1H3/b21-17+.
What are the key properties of 2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol?
2-[N-butyl-C-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol has a molecular weight of 340.23 g/mol, XLogP of 5.48, 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-(3,4-dichlorophenyl)carbonimidoyl]-4-fluorophenol is sourced from PubChem (CID 3029854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).