N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide

C18H14IN3O2 — CID 137151823

IUPACN-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C\c1ccc(O)c(I)c1)c1ccccc1-n1cccc1
InChIInChI=1S/C18H14IN3O2/c19-15-11-13(7-8-17(15)23)12-20-21-18(24)14-5-1-2-6-16(14)22-9-3-4-10-22/h1-12,23H,(H,21,24)/b20-12-
InChIKeyIXOKSIYZIQVRHU-NDENLUEZSA-N
MW431.23 g/mol
LogP3.55
Rot. Bonds4

About N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide

N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide (PubChem CID 137151823) has the molecular formula C18H14IN3O2 and a molecular weight of 431.23 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
PubChem CID137151823
Molecular FormulaC18H14IN3O2
Molecular Weight431.23 g/mol
Exact Mass431.01
IUPAC NameN-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C\c1ccc(O)c(I)c1)c1ccccc1-n1cccc1
InChIInChI=1S/C18H14IN3O2/c19-15-11-13(7-8-17(15)23)12-20-21-18(24)14-5-1-2-6-16(14)22-9-3-4-10-22/h1-12,23H,(H,21,24)/b20-12-
InChIKeyIXOKSIYZIQVRHU-NDENLUEZSA-N
XLogP3.55
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.23
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 135642762
2-chloro-N-[(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 4036296
N-[(E)-anthracen-9-ylmethylideneamino]-2-pyrrol-1-ylbenzamide
CID 19659641
[3-[[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3520322
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
2-pyrrol-1-yl-N-(thiophen-2-ylmethylideneamino)benzamide
CID 1484943
[2-methoxy-5-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6872682
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 6908234
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
CID 19660274
2-bromo-N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]benzamide
CID 136852060
N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
CID 6115725
N-[(Z)-[1-(4-methoxyphenyl)-5-methylpyrrol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
CID 50857678

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide (CID 137151823) is N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is O=C(N/N=C\c1ccc(O)c(I)c1)c1ccccc1-n1cccc1.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
The InChIKey is IXOKSIYZIQVRHU-NDENLUEZSA-N. The full InChI is InChI=1S/C18H14IN3O2/c19-15-11-13(7-8-17(15)23)12-20-21-18(24)14-5-1-2-6-16(14)22-9-3-4-10-22/h1-12,23H,(H,21,24)/b20-12-.
What are the key properties of N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide has a molecular weight of 431.23 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 137151823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).