N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide

C24H23ClN2O3 — CID 54251158

IUPACN-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide
SMILESCC(C)(C)c1ccc(Oc2cccc(C=NNC(=O)c3ccc(O)c(Cl)c3)c2)cc1
InChIInChI=1S/C24H23ClN2O3/c1-24(2,3)18-8-10-19(11-9-18)30-20-6-4-5-16(13-20)15-26-27-23(29)17-7-12-22(28)21(25)14-17/h4-15,28H,1-3H3,(H,27,29)
InChIKeyQWVOYSWZBZHABN-UHFFFAOYSA-N
MW422.91 g/mol
LogP5.90
Rot. Bonds5

About N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide

N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide (PubChem CID 54251158) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide
PubChem CID54251158
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC NameN-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide
SMILESCC(C)(C)c1ccc(Oc2cccc(C=NNC(=O)c3ccc(O)c(Cl)c3)c2)cc1
InChIInChI=1S/C24H23ClN2O3/c1-24(2,3)18-8-10-19(11-9-18)30-20-6-4-5-16(13-20)15-26-27-23(29)17-7-12-22(28)21(25)14-17/h4-15,28H,1-3H3,(H,27,29)
InChIKeyQWVOYSWZBZHABN-UHFFFAOYSA-N
XLogP5.90
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-hydroxy-3-methoxy-N-[(3-phenoxyphenyl)methylideneamino]benzamide
CID 24818461
N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6870929
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
3-hydroxy-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 6911430
N-[(E)-[4-[(4-tert-butylphenyl)methoxy]-3,5-dimethoxyphenyl]methylideneamino]-3-chloro-4-hydroxybenzamide
CID 59092449
3-chloro-4-hydroxy-N-[(E)-[3-[(E)-3-phenylprop-1-enyl]phenyl]methylideneamino]benzamide
CID 59092689
3-chloro-4-hydroxy-N-[[3-(3-phenylprop-1-enyl)phenyl]methylideneamino]benzamide
CID 72514621
N-[(E)-benzylideneamino]-4-[4-[[(E)-benzylideneamino]carbamoyl]phenoxy]benzamide
CID 44621271
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 7414381
N-[[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylideneamino]-3-chlorobenzamide
CID 5004235
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide?
The IUPAC name of N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide (CID 54251158) is N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide.
What is the SMILES notation for N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide?
The canonical SMILES for N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide is CC(C)(C)c1ccc(Oc2cccc(C=NNC(=O)c3ccc(O)c(Cl)c3)c2)cc1.
What is the InChIKey of N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide?
The InChIKey is QWVOYSWZBZHABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-24(2,3)18-8-10-19(11-9-18)30-20-6-4-5-16(13-20)15-26-27-23(29)17-7-12-22(28)21(25)14-17/h4-15,28H,1-3H3,(H,27,29).
What are the key properties of N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide?
N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide has a molecular weight of 422.91 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-tert-butylphenoxy)phenyl]methylideneamino]-3-chloro-4-hydroxybenzamide is sourced from PubChem (CID 54251158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).