2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide

C21H20IN3O — CID 19579432

IUPAC2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide
SMILESCCC(Nc1ccc(I)cc1)C(=O)N/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C21H20IN3O/c1-2-20(24-19-11-9-18(22)10-12-19)21(26)25-23-14-15-7-8-16-5-3-4-6-17(16)13-15/h3-14,20,24H,2H2,1H3,(H,25,26)/b23-14+
InChIKeySEVCWJANJYHQSP-OEAKJJBVSA-N
MW457.32 g/mol
LogP4.79
Rot. Bonds6

About 2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide

2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide (PubChem CID 19579432) has the molecular formula C21H20IN3O and a molecular weight of 457.32 g/mol. Its IUPAC name is 2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide.

Molecular Properties

Compound Name2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide
PubChem CID19579432
Molecular FormulaC21H20IN3O
Molecular Weight457.32 g/mol
Exact Mass457.07
IUPAC Name2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide
SMILESCCC(Nc1ccc(I)cc1)C(=O)N/N=C/c1ccc2ccccc2c1
InChIInChI=1S/C21H20IN3O/c1-2-20(24-19-11-9-18(22)10-12-19)21(26)25-23-14-15-7-8-16-5-3-4-6-17(16)13-15/h3-14,20,24H,2H2,1H3,(H,25,26)/b23-14+
InChIKeySEVCWJANJYHQSP-OEAKJJBVSA-N
XLogP4.79
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.32
LogP ≤ 54.79
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

(2R)-2-anilino-N-[(3,4-dimethoxyphenyl)methylideneamino]butanamide
CID 770506
2-anilino-N-[(3-bromophenyl)methylideneamino]butanamide
CID 5206245
(2S)-2-(4-bromoanilino)-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]butanamide
CID 136861871
(2R)-2-(4-ethoxyanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 135850820
2-(4-ethoxyanilino)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 135782084
(2R)-2-anilino-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 135764360
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
(2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide
CID 5498491
(2S)-N-[(2-fluorophenyl)methylideneamino]-2-(4-methoxyanilino)butanamide
CID 840598
2-(3-chloroanilino)-N-(naphthalen-2-ylmethylideneamino)propanamide
CID 3917683
(2R)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-bromoanilino)butanamide
CID 6989351
2-(4-bromoanilino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135716436

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide?
The IUPAC name of 2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide (CID 19579432) is 2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide.
What is the SMILES notation for 2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide?
The canonical SMILES for 2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide is CCC(Nc1ccc(I)cc1)C(=O)N/N=C/c1ccc2ccccc2c1.
What is the InChIKey of 2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide?
The InChIKey is SEVCWJANJYHQSP-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H20IN3O/c1-2-20(24-19-11-9-18(22)10-12-19)21(26)25-23-14-15-7-8-16-5-3-4-6-17(16)13-15/h3-14,20,24H,2H2,1H3,(H,25,26)/b23-14+.
What are the key properties of 2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide?
2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide has a molecular weight of 457.32 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)-N-[(E)-naphthalen-2-ylmethylideneamino]butanamide is sourced from PubChem (CID 19579432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).