N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide

C18H13Cl2N3O2 — CID 2803580

IUPACN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1-n1cccc1
InChIInChI=1S/C18H13Cl2N3O2/c19-13-9-12(17(24)15(20)10-13)11-21-22-18(25)14-5-1-2-6-16(14)23-7-3-4-8-23/h1-11,24H,(H,22,25)
InChIKeyBFGZBWOOHWQVMV-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.25
Rot. Bonds4

About N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide

N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide (PubChem CID 2803580) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
PubChem CID2803580
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC NameN-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
SMILESO=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1-n1cccc1
InChIInChI=1S/C18H13Cl2N3O2/c19-13-9-12(17(24)15(20)10-13)11-21-22-18(25)14-5-1-2-6-16(14)23-7-3-4-8-23/h1-11,24H,(H,22,25)
InChIKeyBFGZBWOOHWQVMV-UHFFFAOYSA-N
XLogP4.25
TPSA66.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide (CID 2803580) is N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is O=C(NN=Cc1cc(Cl)cc(Cl)c1O)c1ccccc1-n1cccc1.
What is the InChIKey of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
The InChIKey is BFGZBWOOHWQVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c19-13-9-12(17(24)15(20)10-13)11-21-22-18(25)14-5-1-2-6-16(14)23-7-3-4-8-23/h1-11,24H,(H,22,25).
What are the key properties of N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide?
N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide has a molecular weight of 374.23 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 2803580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).