2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide

C12H14ClNO2 — CID 139751346

IUPAC2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide
SMILESC=C(c1ccccc1)N(CCO)C(=O)CCl
InChIInChI=1S/C12H14ClNO2/c1-10(11-5-3-2-4-6-11)14(7-8-15)12(16)9-13/h2-6,15H,1,7-9H2
InChIKeyDBUDUOQSIXELLZ-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.72
Rot. Bonds5

About 2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide

2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide (PubChem CID 139751346) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide
PubChem CID139751346
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide
SMILESC=C(c1ccccc1)N(CCO)C(=O)CCl
InChIInChI=1S/C12H14ClNO2/c1-10(11-5-3-2-4-6-11)14(7-8-15)12(16)9-13/h2-6,15H,1,7-9H2
InChIKeyDBUDUOQSIXELLZ-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide
CID 101027288
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-prop-2-enylacetamide
CID 14326547
benzoic acid;2-chloroethanol
CID 86108582
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880
1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane
CID 159229035
2-iodo-N-methyl-N-(1-phenylethenyl)acetamide
CID 10447570
zinc;benzoic acid;2-(dimethylamino)ethanol;dimethylaminomethanol
CID 59958821
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
1-phenylethenyl 2-chloroacetate
CID 13032777
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propan-2-yloxymethyl)acetamide
CID 15156071
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(propylsulfanylmethyl)acetamide
CID 15156083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide?
The IUPAC name of 2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide (CID 139751346) is 2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide is C=C(c1ccccc1)N(CCO)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide?
The InChIKey is DBUDUOQSIXELLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-10(11-5-3-2-4-6-11)14(7-8-15)12(16)9-13/h2-6,15H,1,7-9H2.
What are the key properties of 2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide?
2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide has a molecular weight of 239.70 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-hydroxyethyl)-N-(1-phenylethenyl)acetamide is sourced from PubChem (CID 139751346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).