(E)-N-(4-iodophenyl)oct-2-enamide

C14H18INO — CID 2172848

IUPAC(E)-N-(4-iodophenyl)oct-2-enamide
SMILESCCCCC/C=C/C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H18INO/c1-2-3-4-5-6-7-14(17)16-13-10-8-12(15)9-11-13/h6-11H,2-5H2,1H3,(H,16,17)/b7-6+
InChIKeyMLVFEBLUFOPVNO-VOTSOKGWSA-N
MW343.21 g/mol
LogP4.37
Rot. Bonds6

About (E)-N-(4-iodophenyl)oct-2-enamide

(E)-N-(4-iodophenyl)oct-2-enamide (PubChem CID 2172848) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is (E)-N-(4-iodophenyl)oct-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-iodophenyl)oct-2-enamide
PubChem CID2172848
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name(E)-N-(4-iodophenyl)oct-2-enamide
SMILESCCCCC/C=C/C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H18INO/c1-2-3-4-5-6-7-14(17)16-13-10-8-12(15)9-11-13/h6-11H,2-5H2,1H3,(H,16,17)/b7-6+
InChIKeyMLVFEBLUFOPVNO-VOTSOKGWSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-phenyldec-2-enamide
CID 72974313
N-(4-octylphenyl)undec-2-enamide
CID 167433429
N-(4-tetradecylphenyl)undec-2-enamide
CID 167433428
2-hydroxy-4-(undec-2-enoylamino)benzoic acid
CID 75231522
3-(4-iodophenyl)-1-methyl-1-pentylurea
CID 3866237
(E)-N-(3,4-dichlorophenyl)hex-2-enamide
CID 134122925
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(E)-N-butyldec-2-enamide
CID 160628271
(Z)-N-phenyloctadec-9-enamide
CID 5354590
N-phenyldocos-13-enamide
CID 54224492
(2E,4E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)deca-2,4-dienamide
CID 142736383
N-(4-iodophenyl)acetamide
CID 12147

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-iodophenyl)oct-2-enamide?
The IUPAC name of (E)-N-(4-iodophenyl)oct-2-enamide (CID 2172848) is (E)-N-(4-iodophenyl)oct-2-enamide.
What is the SMILES notation for (E)-N-(4-iodophenyl)oct-2-enamide?
The canonical SMILES for (E)-N-(4-iodophenyl)oct-2-enamide is CCCCC/C=C/C(=O)Nc1ccc(I)cc1.
What is the InChIKey of (E)-N-(4-iodophenyl)oct-2-enamide?
The InChIKey is MLVFEBLUFOPVNO-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H18INO/c1-2-3-4-5-6-7-14(17)16-13-10-8-12(15)9-11-13/h6-11H,2-5H2,1H3,(H,16,17)/b7-6+.
What are the key properties of (E)-N-(4-iodophenyl)oct-2-enamide?
(E)-N-(4-iodophenyl)oct-2-enamide has a molecular weight of 343.21 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-iodophenyl)oct-2-enamide is sourced from PubChem (CID 2172848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).