N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide

C29H23N3O2 — CID 6115725

IUPACN-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1-n1cccc1
InChIInChI=1S/C29H23N3O2/c33-29(27-12-3-4-13-28(27)32-18-5-6-19-32)31-30-20-22-14-16-25(17-15-22)34-21-24-10-7-9-23-8-1-2-11-26(23)24/h1-20H,21H2,(H,31,33)/b30-20-
InChIKeyLBWHSNPPTXKULS-COEJQBHMSA-N
MW445.52 g/mol
LogP5.97
Rot. Bonds7

About N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide

N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide (PubChem CID 6115725) has the molecular formula C29H23N3O2 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
PubChem CID6115725
Molecular FormulaC29H23N3O2
Molecular Weight445.52 g/mol
Exact Mass445.18
IUPAC NameN-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
SMILESO=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1-n1cccc1
InChIInChI=1S/C29H23N3O2/c33-29(27-12-3-4-13-28(27)32-18-5-6-19-32)31-30-20-22-14-16-25(17-15-22)34-21-24-10-7-9-23-8-1-2-11-26(23)24/h1-20H,21H2,(H,31,33)/b30-20-
InChIKeyLBWHSNPPTXKULS-COEJQBHMSA-N
XLogP5.97
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.97
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

2-fluoro-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 4534177
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
CID 19660274
4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 91972520
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 6908234
N-(2-methoxyethyl)-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8930984
(2S)-2-hydroxy-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 126153771
1-(2-methylphenyl)-3-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea
CID 3303187
N-butyl-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8931002
N-[(E)-anthracen-9-ylmethylideneamino]-2-pyrrol-1-ylbenzamide
CID 19659641
1-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-phenylthiourea
CID 56693861
N-[(2R)-butan-2-yl]-N'-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
CID 8931005
5-chloro-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 126028451

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide (CID 6115725) is N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide is O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1-n1cccc1.
What is the InChIKey of N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide?
The InChIKey is LBWHSNPPTXKULS-COEJQBHMSA-N. The full InChI is InChI=1S/C29H23N3O2/c33-29(27-12-3-4-13-28(27)32-18-5-6-19-32)31-30-20-22-14-16-25(17-15-22)34-21-24-10-7-9-23-8-1-2-11-26(23)24/h1-20H,21H2,(H,31,33)/b30-20-.
What are the key properties of N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide?
N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide has a molecular weight of 445.52 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 6115725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).