N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide

C21H17N3O5 — CID 3098486

IUPACN-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H17N3O5/c25-20-11-8-18(24(27)28)12-17(20)13-22-23-21(26)16-6-9-19(10-7-16)29-14-15-4-2-1-3-5-15/h1-13,25H,14H2,(H,23,26)
InChIKeyMVYJYDQSPPDTQC-UHFFFAOYSA-N
MW391.38 g/mol
LogP3.64
Rot. Bonds7

About N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide

N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide (PubChem CID 3098486) has the molecular formula C21H17N3O5 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide
PubChem CID3098486
Molecular FormulaC21H17N3O5
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H17N3O5/c25-20-11-8-18(24(27)28)12-17(20)13-22-23-21(26)16-6-9-19(10-7-16)29-14-15-4-2-1-3-5-15/h1-13,25H,14H2,(H,23,26)
InChIKeyMVYJYDQSPPDTQC-UHFFFAOYSA-N
XLogP3.64
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

4-[(4-bromophenyl)methoxy]-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 171131713
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135472388
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 5008121
4-(2-anilino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3694397
4-(2-amino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3828860
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 4927415
4-hexoxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 4930536
4-nitro-N-[[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 4078955
4-acetamido-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 136662978
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
4-bromo-N-[(Z)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126346827

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide (CID 3098486) is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is MVYJYDQSPPDTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O5/c25-20-11-8-18(24(27)28)12-17(20)13-22-23-21(26)16-6-9-19(10-7-16)29-14-15-4-2-1-3-5-15/h1-13,25H,14H2,(H,23,26).
What are the key properties of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide?
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide has a molecular weight of 391.38 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 3098486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).