N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide

C17H14Cl3NO — CID 101027288

IUPACN-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide
SMILESC=C(c1ccccc1)N(Cc1ccccc1)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C17H14Cl3NO/c1-13(15-10-6-3-7-11-15)21(16(22)17(18,19)20)12-14-8-4-2-5-9-14/h2-11H,1,12H2
InChIKeyOKKNJXQATIYOBY-UHFFFAOYSA-N
MW354.66 g/mol
LogP5.06
Rot. Bonds4

About N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide

N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide (PubChem CID 101027288) has the molecular formula C17H14Cl3NO and a molecular weight of 354.66 g/mol. Its IUPAC name is N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide
PubChem CID101027288
Molecular FormulaC17H14Cl3NO
Molecular Weight354.66 g/mol
Exact Mass353.01
IUPAC NameN-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide
SMILESC=C(c1ccccc1)N(Cc1ccccc1)C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C17H14Cl3NO/c1-13(15-10-6-3-7-11-15)21(16(22)17(18,19)20)12-14-8-4-2-5-9-14/h2-11H,1,12H2
InChIKeyOKKNJXQATIYOBY-UHFFFAOYSA-N
XLogP5.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.66
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, N,N-bis(phenylmethyl)-
CID 82657
N-benzyl-2-chloro-N-phenylacetamide
CID 1480187
N,N-Dibenzyl-2-chloroacetamide
CID 220099
1-(4-Benzylpiperazin-1-yl)-2,2-dichloroethanone
CID 2133895
N-benzyl-2,2-dichloro-N-[6-(2-cyanoethyl)cyclohexen-1-yl]acetamide
CID 3556865
1-benzyl-3,5-dichloropyrazin-2(1H)-one
CID 11299805
N-benzyl-2-chloro-N-ethylacetamide
CID 2392406
N-benzyl-2-chloro-N-methylacetamide
CID 4639192
N-methyl-N-(1-phenylethenyl)acetamide
CID 12527663
N-Benzyl-2,2,2-trichloroacetanilide
CID 306495
1-(4-Benzylpiperazin-1-yl)-2,2,2-trichloroethanone
CID 874461
2-chloro-N,N-bis(2-phenylethyl)acetamide
CID 2384236

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide?
The IUPAC name of N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide (CID 101027288) is N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide?
The canonical SMILES for N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide is C=C(c1ccccc1)N(Cc1ccccc1)C(=O)C(Cl)(Cl)Cl.
What is the InChIKey of N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide?
The InChIKey is OKKNJXQATIYOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3NO/c1-13(15-10-6-3-7-11-15)21(16(22)17(18,19)20)12-14-8-4-2-5-9-14/h2-11H,1,12H2.
What are the key properties of N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide?
N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide has a molecular weight of 354.66 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trichloro-N-(1-phenylethenyl)acetamide is sourced from PubChem (CID 101027288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).