4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide

C19H17N3O2 — CID 50855117

IUPAC4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H17N3O2/c1-24-18-9-7-16(8-10-18)19(23)21-20-13-15-11-12-22(14-15)17-5-3-2-4-6-17/h2-14H,1H3,(H,21,23)/b20-13-
InChIKeyFTHJLJWDZLYSFP-MOSHPQCFSA-N
MW319.36 g/mol
LogP3.25
Rot. Bonds5

About 4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide

4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide (PubChem CID 50855117) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
PubChem CID50855117
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
SMILESCOc1ccc(C(=O)N/N=C\c2ccn(-c3ccccc3)c2)cc1
InChIInChI=1S/C19H17N3O2/c1-24-18-9-7-16(8-10-18)19(23)21-20-13-15-11-12-22(14-15)17-5-3-2-4-6-17/h2-14H,1H3,(H,21,23)/b20-13-
InChIKeyFTHJLJWDZLYSFP-MOSHPQCFSA-N
XLogP3.25
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.25
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'}

Analyze 4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50854705
3-hydroxy-N-[(Z)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]naphthalene-2-carboxamide
CID 50855396
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581
N-[(E)-[1-(4-methoxyphenyl)pyrrol-3-yl]methylideneamino]thiophene-2-carboxamide
CID 50855304
N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 50854683
N-[(E)-(1-phenylpyrrol-3-yl)methylideneamino]-3-pyrrol-1-ylbenzamide
CID 50854816
4-methoxy-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzamide
CID 1039675
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
2-chloro-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide
CID 50854715
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The IUPAC name of 4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide (CID 50855117) is 4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The canonical SMILES for 4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide is COc1ccc(C(=O)N/N=C\c2ccn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
The InChIKey is FTHJLJWDZLYSFP-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-18-9-7-16(8-10-18)19(23)21-20-13-15-11-12-22(14-15)17-5-3-2-4-6-17/h2-14H,1H3,(H,21,23)/b20-13-.
What are the key properties of 4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide?
4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide has a molecular weight of 319.36 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(Z)-(1-phenylpyrrol-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 50855117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).