N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

C35H25ClN2O2 — CID 6903402

IUPACN-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESO=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)c1ccc(COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C35H25ClN2O2/c36-34-30-15-6-4-13-28(30)32(29-14-5-7-16-31(29)34)22-37-38-35(39)26-20-18-24(19-21-26)23-40-33-17-9-8-12-27(33)25-10-2-1-3-11-25/h1-22H,23H2,(H,38,39)/b37-22+
InChIKeyZFGAIQSNEGQNRU-SEBMTOOBSA-N
MW541.05 g/mol
LogP8.66
Rot. Bonds7

About N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide

N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (PubChem CID 6903402) has the molecular formula C35H25ClN2O2 and a molecular weight of 541.05 g/mol. Its IUPAC name is N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
PubChem CID6903402
Molecular FormulaC35H25ClN2O2
Molecular Weight541.05 g/mol
Exact Mass540.16
IUPAC NameN-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
SMILESO=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)c1ccc(COc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C35H25ClN2O2/c36-34-30-15-6-4-13-28(30)32(29-14-5-7-16-31(29)34)22-37-38-35(39)26-20-18-24(19-21-26)23-40-33-17-9-8-12-27(33)25-10-2-1-3-11-25/h1-22H,23H2,(H,38,39)/b37-22+
InChIKeyZFGAIQSNEGQNRU-SEBMTOOBSA-N
XLogP8.66
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.05
LogP ≤ 58.66
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[(4-tert-butylphenoxy)methyl]-N-[(10-chloroanthracen-9-yl)methylideneamino]benzamide
CID 2391842
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 135607593
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6904277
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3944391
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 5009535
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518234
4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6058956
N-(cyclohex-3-en-1-ylmethylideneamino)-4-[(2-phenylphenoxy)methyl]benzamide
CID 3942761
1-methyl-3-[[4-[(2-phenylphenoxy)methyl]benzoyl]amino]thiourea
CID 8626379
[(10-chloroanthracen-9-yl)methylideneamino]urea
CID 3282620
N-[1-(4-cyanophenyl)ethylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 3428420
4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6002265

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The IUPAC name of N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide (CID 6903402) is N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The canonical SMILES for N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is O=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)c1ccc(COc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
The InChIKey is ZFGAIQSNEGQNRU-SEBMTOOBSA-N. The full InChI is InChI=1S/C35H25ClN2O2/c36-34-30-15-6-4-13-28(30)32(29-14-5-7-16-31(29)34)22-37-38-35(39)26-20-18-24(19-21-26)23-40-33-17-9-8-12-27(33)25-10-2-1-3-11-25/h1-22H,23H2,(H,38,39)/b37-22+.
What are the key properties of N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide?
N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide has a molecular weight of 541.05 g/mol, XLogP of 8.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(10-chloroanthracen-9-yl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide is sourced from PubChem (CID 6903402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).