N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide

C21H15Cl2N3O5 — CID 75210800

IUPACN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
SMILESO=C(NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C21H15Cl2N3O5/c22-15-6-5-14(18(23)9-15)12-31-20-4-2-1-3-13(20)11-24-25-21(28)17-10-16(26(29)30)7-8-19(17)27/h1-11,27H,12H2,(H,25,28)
InChIKeyBUMSZCCRTSOLQY-UHFFFAOYSA-N
MW460.27 g/mol
LogP4.95
Rot. Bonds7

About N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide

N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide (PubChem CID 75210800) has the molecular formula C21H15Cl2N3O5 and a molecular weight of 460.27 g/mol. Its IUPAC name is N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
PubChem CID75210800
Molecular FormulaC21H15Cl2N3O5
Molecular Weight460.27 g/mol
Exact Mass459.04
IUPAC NameN-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide
SMILESO=C(NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C21H15Cl2N3O5/c22-15-6-5-14(18(23)9-15)12-31-20-4-2-1-3-13(20)11-24-25-21(28)17-10-16(26(29)30)7-8-19(17)27/h1-11,27H,12H2,(H,25,28)
InChIKeyBUMSZCCRTSOLQY-UHFFFAOYSA-N
XLogP4.95
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.27
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzamide
CID 124541111
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-nitroaniline
CID 96881846
2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245231
2-(4-chlorophenyl)-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379840
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 4215003
4-chloro-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21379718
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5016843
3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 5137761
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657564
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 5008121
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135472388
2-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-nitrobenzamide
CID 3358963

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide?
The IUPAC name of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide (CID 75210800) is N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide.
What is the SMILES notation for N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide?
The canonical SMILES for N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide is O=C(NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide?
The InChIKey is BUMSZCCRTSOLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O5/c22-15-6-5-14(18(23)9-15)12-31-20-4-2-1-3-13(20)11-24-25-21(28)17-10-16(26(29)30)7-8-19(17)27/h1-11,27H,12H2,(H,25,28).
What are the key properties of N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide?
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide has a molecular weight of 460.27 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-5-nitrobenzamide is sourced from PubChem (CID 75210800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).