2-iodo-N-methyl-N-(1-phenylethenyl)acetamide

C11H12INO — CID 10447570

IUPAC2-iodo-N-methyl-N-(1-phenylethenyl)acetamide
SMILESC=C(c1ccccc1)N(C)C(=O)CI
InChIInChI=1S/C11H12INO/c1-9(13(2)11(14)8-12)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyROZFVBAOVWSQER-UHFFFAOYSA-N
MW301.13 g/mol
LogP2.55
Rot. Bonds3

About 2-iodo-N-methyl-N-(1-phenylethenyl)acetamide

2-iodo-N-methyl-N-(1-phenylethenyl)acetamide (PubChem CID 10447570) has the molecular formula C11H12INO and a molecular weight of 301.13 g/mol. Its IUPAC name is 2-iodo-N-methyl-N-(1-phenylethenyl)acetamide.

Molecular Properties

Compound Name2-iodo-N-methyl-N-(1-phenylethenyl)acetamide
PubChem CID10447570
Molecular FormulaC11H12INO
Molecular Weight301.13 g/mol
Exact Mass301.00
IUPAC Name2-iodo-N-methyl-N-(1-phenylethenyl)acetamide
SMILESC=C(c1ccccc1)N(C)C(=O)CI
InChIInChI=1S/C11H12INO/c1-9(13(2)11(14)8-12)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
InChIKeyROZFVBAOVWSQER-UHFFFAOYSA-N
XLogP2.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
2-(dimethylamino)-1-phenylprop-2-en-1-one
CID 23037706
3-N'-(benzenecarbonothioyl)-1-N',3-N'-dimethyl-1-N'-(1-phenylethenyl)propanedihydrazide
CID 143634327
2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide
CID 139751346
N,2-dimethyl-N-(1-phenylethenyl)propan-2-amine;ethane
CID 159340519
1-(benzenecarbonothioyl)-3,3-diethyl-1-methylurea
CID 13184586
4-methyl-1-phenylpent-4-ene-1,3-dione
CID 15683513
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
N,N-dimethyl-3-(2-phenylprop-2-enylamino)propanamide
CID 113288141
ethane;2-phenylprop-2-enoic acid
CID 142472843
2-methylidene-1-phenylbutan-1-one
CID 11788458
1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide
CID 58532633

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methyl-N-(1-phenylethenyl)acetamide?
The IUPAC name of 2-iodo-N-methyl-N-(1-phenylethenyl)acetamide (CID 10447570) is 2-iodo-N-methyl-N-(1-phenylethenyl)acetamide.
What is the SMILES notation for 2-iodo-N-methyl-N-(1-phenylethenyl)acetamide?
The canonical SMILES for 2-iodo-N-methyl-N-(1-phenylethenyl)acetamide is C=C(c1ccccc1)N(C)C(=O)CI.
What is the InChIKey of 2-iodo-N-methyl-N-(1-phenylethenyl)acetamide?
The InChIKey is ROZFVBAOVWSQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO/c1-9(13(2)11(14)8-12)10-6-4-3-5-7-10/h3-7H,1,8H2,2H3.
What are the key properties of 2-iodo-N-methyl-N-(1-phenylethenyl)acetamide?
2-iodo-N-methyl-N-(1-phenylethenyl)acetamide has a molecular weight of 301.13 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methyl-N-(1-phenylethenyl)acetamide is sourced from PubChem (CID 10447570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).