N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide

C26H28Cl2N2O2 — CID 135478646

IUPACN-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide
SMILESO=C(CC1(c2ccccc2)C2CC3CC(C2)CC1C3)NC=NOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H28Cl2N2O2/c27-23-7-6-19(24(28)13-23)15-32-30-16-29-25(31)14-26(20-4-2-1-3-5-20)21-9-17-8-18(11-21)12-22(26)10-17/h1-7,13,16-18,21-22H,8-12,14-15H2,(H,29,30,31)
InChIKeyYCUZAELVNGYAEU-UHFFFAOYSA-N
MW471.43 g/mol
LogP6.35
Rot. Bonds7

About N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide

N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide (PubChem CID 135478646) has the molecular formula C26H28Cl2N2O2 and a molecular weight of 471.43 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide
PubChem CID135478646
Molecular FormulaC26H28Cl2N2O2
Molecular Weight471.43 g/mol
Exact Mass470.15
IUPAC NameN-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide
SMILESO=C(CC1(c2ccccc2)C2CC3CC(C2)CC1C3)NC=NOCc1ccc(Cl)cc1Cl
InChIInChI=1S/C26H28Cl2N2O2/c27-23-7-6-19(24(28)13-23)15-32-30-16-29-25(31)14-26(20-4-2-1-3-5-20)21-9-17-8-18(11-21)12-22(26)10-17/h1-7,13,16-18,21-22H,8-12,14-15H2,(H,29,30,31)
InChIKeyYCUZAELVNGYAEU-UHFFFAOYSA-N
XLogP6.35
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide
CID 136905008
(E)-2-cyano-N-[(Z)-(2,4-dichlorophenyl)methoxyiminomethyl]-3-(dimethylamino)prop-2-enamide
CID 135942018
1-[3-[(2,4-dichlorophenyl)methoxyimino]propanoylamino]-3-methylthiourea
CID 3372799
(2,4-dichlorophenyl)methyl adamantane-1-carboxylate
CID 4285258
methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate
CID 40512717
(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-(2,4-difluorophenyl)propanamide
CID 20850503
1-(2-adamantyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967204
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 4233936
3-[(2,4-dichlorophenyl)methoxyimino]-1-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
CID 3839469
(2Z)-2-[(2,4-dichlorophenyl)methoxyimino]-3-oxobutanoic acid
CID 88719702
2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone
CID 116516992
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methoxy]-3-[(E)-(2,4-dichlorophenyl)methoxyiminomethyl]urea
CID 135473476

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide (CID 135478646) is N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide is O=C(CC1(c2ccccc2)C2CC3CC(C2)CC1C3)NC=NOCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide?
The InChIKey is YCUZAELVNGYAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N2O2/c27-23-7-6-19(24(28)13-23)15-32-30-16-29-25(31)14-26(20-4-2-1-3-5-20)21-9-17-8-18(11-21)12-22(26)10-17/h1-7,13,16-18,21-22H,8-12,14-15H2,(H,29,30,31).
What are the key properties of N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide?
N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide has a molecular weight of 471.43 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methoxyiminomethyl]-2-(2-phenyl-2-adamantyl)acetamide is sourced from PubChem (CID 135478646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).