4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol

C17H17Cl2NO — CID 3029859

IUPAC4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol
SMILESCC(C)C/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C17H17Cl2NO/c1-11(2)10-20-17(13-5-3-4-6-15(13)19)14-9-12(18)7-8-16(14)21/h3-9,11,21H,10H2,1-2H3/b20-17+
InChIKeyRVWDXOGDIDUKLE-LVZFUZTISA-N
MW322.24 g/mol
LogP5.19
Rot. Bonds4

About 4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol

4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol (PubChem CID 3029859) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol
PubChem CID3029859
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol
SMILESCC(C)C/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C17H17Cl2NO/c1-11(2)10-20-17(13-5-3-4-6-15(13)19)14-9-12(18)7-8-16(14)21/h3-9,11,21H,10H2,1-2H3/b20-17+
InChIKeyRVWDXOGDIDUKLE-LVZFUZTISA-N
XLogP5.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[C-(2-chlorophenyl)-N-(4-hydroxybutyl)carbonimidoyl]phenol
CID 135598763
1-(2,4-dichlorophenyl)-N-(2-methylpropyl)ethanimine
CID 19695097
4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol
CID 3627789
4-[[(2-chlorophenyl)-(2-hydroxy-5-methylphenyl)methylidene]amino]butanoic acid
CID 3046774
2-[N-(2-aminopropyl)-C-phenylcarbonimidoyl]-4-chloroaniline
CID 21407690
4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 3406457
2-[2-(5-chloro-2-hydroxybenzoyl)phenyl]-7-methyloctanoic acid
CID 20566900
(5-chloro-2-hydroxyphenyl)-(2-methylphenyl)methanone
CID 21463072
benzene-1,2-diol;4-chlorobenzene-1,2-diol
CID 22153361
2,5-dichloro-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540057
(2-chlorophenyl) 5-chloro-2-hydroxybenzoate
CID 71318938
N-[(5-chloro-2-iodophenyl)-(2-chlorophenyl)methylidene]hydroxylamine
CID 71411533

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol (CID 3029859) is 4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol is CC(C)C/N=C(/c1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol?
The InChIKey is RVWDXOGDIDUKLE-LVZFUZTISA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-11(2)10-20-17(13-5-3-4-6-15(13)19)14-9-12(18)7-8-16(14)21/h3-9,11,21H,10H2,1-2H3/b20-17+.
What are the key properties of 4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol?
4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol has a molecular weight of 322.24 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[C-(2-chlorophenyl)-N-(2-methylpropyl)carbonimidoyl]phenol is sourced from PubChem (CID 3029859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).