N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide

C24H21N3O2 — CID 6293320

IUPACN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)c3ccccc3-n3cccc3)ccc2c1
InChIInChI=1S/C24H21N3O2/c1-17(18-9-10-20-16-21(29-2)12-11-19(20)15-18)25-26-24(28)22-7-3-4-8-23(22)27-13-5-6-14-27/h3-16H,1-2H3,(H,26,28)/b25-17-
InChIKeyHZJHNQNUTJCARQ-UQQQWYQISA-N
MW383.45 g/mol
LogP4.79
Rot. Bonds5

About N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide

N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide (PubChem CID 6293320) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide
PubChem CID6293320
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)c3ccccc3-n3cccc3)ccc2c1
InChIInChI=1S/C24H21N3O2/c1-17(18-9-10-20-16-21(29-2)12-11-19(20)15-18)25-26-24(28)22-7-3-4-8-23(22)27-13-5-6-14-27/h3-16H,1-2H3,(H,26,28)/b25-17-
InChIKeyHZJHNQNUTJCARQ-UQQQWYQISA-N
XLogP4.79
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
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

N-(1-phenylethylideneamino)-2-pyrrol-1-ylbenzamide
CID 5051594
N-[1-(4-chlorophenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 4578193
N-[(E)-1-(3,5-dihydroxyphenyl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 17126850
N-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide
CID 9012277
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 5412321
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6144551
2-fluoro-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4200169
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
CID 7937122

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide (CID 6293320) is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide is COc1ccc2cc(/C(C)=N\NC(=O)c3ccccc3-n3cccc3)ccc2c1.
What is the InChIKey of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
The InChIKey is HZJHNQNUTJCARQ-UQQQWYQISA-N. The full InChI is InChI=1S/C24H21N3O2/c1-17(18-9-10-20-16-21(29-2)12-11-19(20)15-18)25-26-24(28)22-7-3-4-8-23(22)27-13-5-6-14-27/h3-16H,1-2H3,(H,26,28)/b25-17-.
What are the key properties of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide?
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide has a molecular weight of 383.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 6293320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).