N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide

C30H22ClN3O — CID 6882945

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C30H22ClN3O/c31-26-15-11-22(12-16-26)21-32-33-30(35)25-13-17-27(18-14-25)34-28(23-7-3-1-4-8-23)19-20-29(34)24-9-5-2-6-10-24/h1-21H,(H,33,35)/b32-21+
InChIKeyVPMXIJNTAVFBRK-RUMWWMSVSA-N
MW475.98 g/mol
LogP7.23
Rot. Bonds6

About N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide

N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide (PubChem CID 6882945) has the molecular formula C30H22ClN3O and a molecular weight of 475.98 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
PubChem CID6882945
Molecular FormulaC30H22ClN3O
Molecular Weight475.98 g/mol
Exact Mass475.15
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
SMILESO=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C30H22ClN3O/c31-26-15-11-22(12-16-26)21-32-33-30(35)25-13-17-27(18-14-25)34-28(23-7-3-1-4-8-23)19-20-29(34)24-9-5-2-6-10-24/h1-21H,(H,33,35)/b32-21+
InChIKeyVPMXIJNTAVFBRK-RUMWWMSVSA-N
XLogP7.23
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 126192668
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 137065167
N-[(Z)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-(2-methyl-5-phenylpyrrol-1-yl)benzamide
CID 124534113
4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
CID 126197594
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 126192852
N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
CID 3521596
N-[(E)-(5-chloro-2-hydroxy-3-iodophenyl)methylideneamino]-4-(2-methyl-5-phenylpyrrol-1-yl)benzamide
CID 137173786
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
2-chloro-4-[3-[(Z)-[[4-(2,5-diphenylpyrrol-1-yl)benzoyl]hydrazinylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoic acid
CID 124534054
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide (CID 6882945) is N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide is O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide?
The InChIKey is VPMXIJNTAVFBRK-RUMWWMSVSA-N. The full InChI is InChI=1S/C30H22ClN3O/c31-26-15-11-22(12-16-26)21-32-33-30(35)25-13-17-27(18-14-25)34-28(23-7-3-1-4-8-23)19-20-29(34)24-9-5-2-6-10-24/h1-21H,(H,33,35)/b32-21+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide has a molecular weight of 475.98 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide is sourced from PubChem (CID 6882945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).