[5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone

C20H14ClNO2 — CID 23766024

IUPAC[5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1cccc(O)c1
InChIInChI=1S/C20H14ClNO2/c21-16-9-10-19(22-13-14-5-4-8-17(23)11-14)18(12-16)20(24)15-6-2-1-3-7-15/h1-13,23H/b22-13+
InChIKeyDCJZIZNVVUMXKE-LPYMAVHISA-N
MW335.79 g/mol
LogP5.03
Rot. Bonds4

About [5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone

[5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone (PubChem CID 23766024) has the molecular formula C20H14ClNO2 and a molecular weight of 335.79 g/mol. Its IUPAC name is [5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
PubChem CID23766024
Molecular FormulaC20H14ClNO2
Molecular Weight335.79 g/mol
Exact Mass335.07
IUPAC Name[5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1cccc(O)c1
InChIInChI=1S/C20H14ClNO2/c21-16-9-10-19(22-13-14-5-4-8-17(23)11-14)18(12-16)20(24)15-6-2-1-3-7-15/h1-13,23H/b22-13+
InChIKeyDCJZIZNVVUMXKE-LPYMAVHISA-N
XLogP5.03
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.79
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-2-[(5-chloro-2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 3883823
[5-chloro-2-[(4-chlorophenyl)diazenyl]phenyl]-phenylmethanone
CID 102337066
3-[(5-chloro-2-methylphenyl)iminomethyl]phenol
CID 126216051
2-[(2-benzoyl-4-chlorophenyl)iminomethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135957505
(5-chloro-2-isothiocyanatophenyl)-phenylmethanone
CID 5200219
methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate
CID 139227476
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
ethyl (E)-2-[(2-benzoyl-4-chlorophenyl)iminomethyl]-4,4,4-trifluoro-3-hydroxybut-2-enoate
CID 135672118
acetic acid;3-[(2-benzoyl-4-chlorophenyl)iminomethyl]-1H-quinoxalin-2-one;cobalt;hydrate
CID 139241466
2-benzoyl-4-chlorobenzenesulfonyl chloride
CID 2756600
[5-chloro-2-(2-nitroethylideneamino)phenyl]-(4-chlorophenyl)methanone
CID 54024564
2-(2-benzoyl-4-chlorophenoxy)acetamide
CID 54259407

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The IUPAC name of [5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone (CID 23766024) is [5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone.
What is the SMILES notation for [5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The canonical SMILES for [5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(Cl)ccc1/N=C/c1cccc(O)c1.
What is the InChIKey of [5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
The InChIKey is DCJZIZNVVUMXKE-LPYMAVHISA-N. The full InChI is InChI=1S/C20H14ClNO2/c21-16-9-10-19(22-13-14-5-4-8-17(23)11-14)18(12-16)20(24)15-6-2-1-3-7-15/h1-13,23H/b22-13+.
What are the key properties of [5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone?
[5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone has a molecular weight of 335.79 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-[(3-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone is sourced from PubChem (CID 23766024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).