2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide

C16H22IN3O — CID 5338973

IUPAC2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
SMILESCc1cc(I)ccc1NCC(=O)N/N=C1/CCCCC1C
InChIInChI=1S/C16H22IN3O/c1-11-5-3-4-6-15(11)19-20-16(21)10-18-14-8-7-13(17)9-12(14)2/h7-9,11,18H,3-6,10H2,1-2H3,(H,20,21)/b19-15-
InChIKeyVUZWCBUMUJHTCS-CYVLTUHYSA-N
MW399.28 g/mol
LogP3.69
Rot. Bonds4

About 2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide

2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide (PubChem CID 5338973) has the molecular formula C16H22IN3O and a molecular weight of 399.28 g/mol. Its IUPAC name is 2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
PubChem CID5338973
Molecular FormulaC16H22IN3O
Molecular Weight399.28 g/mol
Exact Mass399.08
IUPAC Name2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
SMILESCc1cc(I)ccc1NCC(=O)N/N=C1/CCCCC1C
InChIInChI=1S/C16H22IN3O/c1-11-5-3-4-6-15(11)19-20-16(21)10-18-14-8-7-13(17)9-12(14)2/h7-9,11,18H,3-6,10H2,1-2H3,(H,20,21)/b19-15-
InChIKeyVUZWCBUMUJHTCS-CYVLTUHYSA-N
XLogP3.69
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 53.69
H-Bond Donors ≤ 52
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-bromo-4-chloroanilino)-N-[[(2R)-2-methylcyclohexylidene]amino]acetamide
CID 1379155
2-(4-fluoroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5332996
2-(4-fluoroanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
CID 5404259
N-(cyclooctylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 54786974
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 42996055
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide
CID 6941303
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-phenylbutanediamide
CID 5413708
N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
CID 6384080
N-[(2-methylcyclohexylidene)amino]-2-naphthalen-1-ylacetamide
CID 4694796
N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3930729

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
The IUPAC name of 2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide (CID 5338973) is 2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
The canonical SMILES for 2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide is Cc1cc(I)ccc1NCC(=O)N/N=C1/CCCCC1C.
What is the InChIKey of 2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
The InChIKey is VUZWCBUMUJHTCS-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H22IN3O/c1-11-5-3-4-6-15(11)19-20-16(21)10-18-14-8-7-13(17)9-12(14)2/h7-9,11,18H,3-6,10H2,1-2H3,(H,20,21)/b19-15-.
What are the key properties of 2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide?
2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide has a molecular weight of 399.28 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-methylanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 5338973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).