N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide

C22H17ClI2N2O2 — CID 21380130

IUPACN-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1
InChIInChI=1S/C22H17ClI2N2O2/c1-14-6-8-16(9-7-14)22(28)27-26-12-15-10-19(24)21(20(25)11-15)29-13-17-4-2-3-5-18(17)23/h2-12H,13H2,1H3,(H,27,28)/b26-12+
InChIKeyLOANUMXJNSHAHR-RPPGKUMJSA-N
MW630.65 g/mol
LogP6.20
Rot. Bonds6

About N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide

N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide (PubChem CID 21380130) has the molecular formula C22H17ClI2N2O2 and a molecular weight of 630.65 g/mol. Its IUPAC name is N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide
PubChem CID21380130
Molecular FormulaC22H17ClI2N2O2
Molecular Weight630.65 g/mol
Exact Mass629.91
IUPAC NameN-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1
InChIInChI=1S/C22H17ClI2N2O2/c1-14-6-8-16(9-7-14)22(28)27-26-12-15-10-19(24)21(20(25)11-15)29-13-17-4-2-3-5-18(17)23/h2-12H,13H2,1H3,(H,27,28)/b26-12+
InChIKeyLOANUMXJNSHAHR-RPPGKUMJSA-N
XLogP6.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.65
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 19657270
2-chloro-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-methylbenzamide
CID 126058165
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-propoxybenzamide
CID 133169492
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 126371203
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-methoxybenzamide
CID 126376552
N-[(E)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide
CID 21380134
N-[(Z)-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126368928
2-[(2-chlorophenyl)methoxy]-N-[(E)-(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19657256
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126323803
N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2-methylbenzamide
CID 99665225
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126365368
N-[(Z)-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 94851346

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide (CID 21380130) is N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C/c2cc(I)c(OCc3ccccc3Cl)c(I)c2)cc1.
What is the InChIKey of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide?
The InChIKey is LOANUMXJNSHAHR-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H17ClI2N2O2/c1-14-6-8-16(9-7-14)22(28)27-26-12-15-10-19(24)21(20(25)11-15)29-13-17-4-2-3-5-18(17)23/h2-12H,13H2,1H3,(H,27,28)/b26-12+.
What are the key properties of N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide?
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide has a molecular weight of 630.65 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(2-chlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 21380130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).