N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide

C20H19N3O2 — CID 5412321

IUPACN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C20H19N3O2/c1-15(16-7-11-19(25-2)12-8-16)21-22-20(24)17-5-9-18(10-6-17)23-13-3-4-14-23/h3-14H,1-2H3,(H,22,24)/b21-15-
InChIKeyCPYMFHWMEQRXFU-QNGOZBTKSA-N
MW333.39 g/mol
LogP3.64
Rot. Bonds5

About N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide (PubChem CID 5412321) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
PubChem CID5412321
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc(/C(C)=N\NC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C20H19N3O2/c1-15(16-7-11-19(25-2)12-8-16)21-22-20(24)17-5-9-18(10-6-17)23-13-3-4-14-23/h3-14H,1-2H3,(H,22,24)/b21-15-
InChIKeyCPYMFHWMEQRXFU-QNGOZBTKSA-N
XLogP3.64
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.64
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-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 136690135
[4-[(E)-C-methyl-N-[(4-pyrrol-1-ylbenzoyl)amino]carbonimidoyl]phenyl] benzoate
CID 19659089
N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
CID 24536054
N-[1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 4590770
N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
CID 3606783
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 135554267
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
4-methoxy-N-[1-[6-[N-[(4-methoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 155923428

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide (CID 5412321) is N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide is COc1ccc(/C(C)=N\NC(=O)c2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide?
The InChIKey is CPYMFHWMEQRXFU-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15(16-7-11-19(25-2)12-8-16)21-22-20(24)17-5-9-18(10-6-17)23-13-3-4-14-23/h3-14H,1-2H3,(H,22,24)/b21-15-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide?
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide has a molecular weight of 333.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 5412321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).