N'-hexanoyl-3-iodo-4-methoxybenzohydrazide

C14H19IN2O3 — CID 4953926

IUPACN'-hexanoyl-3-iodo-4-methoxybenzohydrazide
SMILESCCCCCC(=O)NNC(=O)c1ccc(OC)c(I)c1
InChIInChI=1S/C14H19IN2O3/c1-3-4-5-6-13(18)16-17-14(19)10-7-8-12(20-2)11(15)9-10/h7-9H,3-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHPTGCJYBEBWYIX-UHFFFAOYSA-N
MW390.22 g/mol
LogP2.64
Rot. Bonds6

About N'-hexanoyl-3-iodo-4-methoxybenzohydrazide

N'-hexanoyl-3-iodo-4-methoxybenzohydrazide (PubChem CID 4953926) has the molecular formula C14H19IN2O3 and a molecular weight of 390.22 g/mol. Its IUPAC name is N'-hexanoyl-3-iodo-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-hexanoyl-3-iodo-4-methoxybenzohydrazide
PubChem CID4953926
Molecular FormulaC14H19IN2O3
Molecular Weight390.22 g/mol
Exact Mass390.04
IUPAC NameN'-hexanoyl-3-iodo-4-methoxybenzohydrazide
SMILESCCCCCC(=O)NNC(=O)c1ccc(OC)c(I)c1
InChIInChI=1S/C14H19IN2O3/c1-3-4-5-6-13(18)16-17-14(19)10-7-8-12(20-2)11(15)9-10/h7-9H,3-6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHPTGCJYBEBWYIX-UHFFFAOYSA-N
XLogP2.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
CID 5241473
1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
CID 3092349
4-hexoxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4934590
N'-[4-(4-acetylphenoxy)butanoyl]-4-butoxy-3-methoxybenzohydrazide
CID 35781657
3-iodo-N-[3-[(3-iodo-4-methoxybenzoyl)amino]propyl]-4-methoxybenzamide
CID 4981153
1-[(3-iodo-4-methoxybenzoyl)amino]-3-phenylurea
CID 5186503
N'-dodecanoyl-4-heptylbenzohydrazide
CID 3103832
3-bromo-4-butoxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4956198
3-methoxy-N'-pentanoylbenzohydrazide
CID 3117671
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
1-(4-chlorophenyl)-3-[(3-iodo-4-methoxybenzoyl)amino]urea
CID 1011551

Frequently Asked Questions

What is the IUPAC name of N'-hexanoyl-3-iodo-4-methoxybenzohydrazide?
The IUPAC name of N'-hexanoyl-3-iodo-4-methoxybenzohydrazide (CID 4953926) is N'-hexanoyl-3-iodo-4-methoxybenzohydrazide.
What is the SMILES notation for N'-hexanoyl-3-iodo-4-methoxybenzohydrazide?
The canonical SMILES for N'-hexanoyl-3-iodo-4-methoxybenzohydrazide is CCCCCC(=O)NNC(=O)c1ccc(OC)c(I)c1.
What is the InChIKey of N'-hexanoyl-3-iodo-4-methoxybenzohydrazide?
The InChIKey is HPTGCJYBEBWYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O3/c1-3-4-5-6-13(18)16-17-14(19)10-7-8-12(20-2)11(15)9-10/h7-9H,3-6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-hexanoyl-3-iodo-4-methoxybenzohydrazide?
N'-hexanoyl-3-iodo-4-methoxybenzohydrazide has a molecular weight of 390.22 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexanoyl-3-iodo-4-methoxybenzohydrazide is sourced from PubChem (CID 4953926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).