N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide

C12H14INO2 — CID 115776140

IUPACN-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(I)cc1
InChIInChI=1S/C12H14INO2/c1-2-7-14(8-9-15)12(16)10-3-5-11(13)6-4-10/h2-6,15H,1,7-9H2
InChIKeyPDCXYLCJEMUHNZ-UHFFFAOYSA-N
MW331.15 g/mol
LogP1.91
Rot. Bonds5

About N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide

N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide (PubChem CID 115776140) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
PubChem CID115776140
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC NameN-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
SMILESC=CCN(CCO)C(=O)c1ccc(I)cc1
InChIInChI=1S/C12H14INO2/c1-2-7-14(8-9-15)12(16)10-3-5-11(13)6-4-10/h2-6,15H,1,7-9H2
InChIKeyPDCXYLCJEMUHNZ-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113340627
4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115924108
4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115776053
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
N-(2-hydroxyethyl)-3,5-dimethoxy-N-prop-2-enylbenzamide
CID 115775572
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
N-(2-hydroxyethyl)-N-prop-2-enyl-3-pyrrol-1-ylbenzamide
CID 115776195
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide
CID 103222178
2,4-dihydroxy-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 113368377
4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide
CID 102851967
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide (CID 115776140) is N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide is C=CCN(CCO)C(=O)c1ccc(I)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide?
The InChIKey is PDCXYLCJEMUHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c1-2-7-14(8-9-15)12(16)10-3-5-11(13)6-4-10/h2-6,15H,1,7-9H2.
What are the key properties of N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide?
N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide has a molecular weight of 331.15 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide is sourced from PubChem (CID 115776140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).