3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide

C23H19ClN2O2 — CID 72514621

IUPAC3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(C=CCc2ccccc2)c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C23H19ClN2O2/c24-21-15-20(12-13-22(21)27)23(28)26-25-16-19-11-5-10-18(14-19)9-4-8-17-6-2-1-3-7-17/h1-7,9-16,27H,8H2,(H,26,28)
InChIKeyXMXKQFNWKNGORG-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.07
Rot. Bonds6

About 3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide

3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide (PubChem CID 72514621) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide
PubChem CID72514621
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide
SMILESO=C(NN=Cc1cccc(C=CCc2ccccc2)c1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C23H19ClN2O2/c24-21-15-20(12-13-22(21)27)23(28)26-25-16-19-11-5-10-18(14-19)9-4-8-17-6-2-1-3-7-17/h1-7,9-16,27H,8H2,(H,26,28)
InChIKeyXMXKQFNWKNGORG-UHFFFAOYSA-N
XLogP5.07
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-phenylprop-1-enyl]phenyl]methylideneamino]benzamide
CID 59092689
3-chloro-4-hydroxy-N-[[4-(3-phenylprop-1-enyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72513914
3-chloro-4-hydroxy-N-[[4-(3-phenoxyprop-1-enyl)phenyl]methylideneamino]benzamide
CID 72514576
5-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]pent-4-enoic acid
CID 72514634
3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxybut-1-enyl]phenyl]methylideneamino]benzamide;3-chloro-4-hydroxy-N-[(E)-[3-[(E)-4-hydroxyhex-1-enyl]phenyl]methylideneamino]benzamide
CID 172919413
N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 54251158
3-chloro-4-hydroxy-N-[[4-[2-(3-hydroxyphenyl)ethynyl]phenyl]methylideneamino]benzamide
CID 54447185
3-chloro-N-[(E)-[3-[3-(2,6-dichlorophenoxy)prop-1-ynyl]phenyl]methylideneamino]-4-hydroxybenzamide
CID 59092155
4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]naphthalene-1-carboxylic acid
CID 67483815
3-chloro-N-[(E)-[3,4-dimethoxy-5-[(E)-5-phenylpent-1-enyl]phenyl]methylideneamino]-4-hydroxybenzamide
CID 59092114
N-[[4-(3-aminoprop-1-enyl)naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 72514389
3-[4-[[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]prop-2-ynoic acid
CID 72514511

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide (CID 72514621) is 3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide is O=C(NN=Cc1cccc(C=CCc2ccccc2)c1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide?
The InChIKey is XMXKQFNWKNGORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-21-15-20(12-13-22(21)27)23(28)26-25-16-19-11-5-10-18(14-19)9-4-8-17-6-2-1-3-7-17/h1-7,9-16,27H,8H2,(H,26,28).
What are the key properties of 3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide?
3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide has a molecular weight of 390.87 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 72514621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).