N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide

C10H12ClNO — CID 10750570

IUPACN-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide
SMILES[2H]C([2H])([2H])C(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-7H,1-2H3,(H,12,13)/i2D3
InChIKeyHGKOQCMPYYZGCI-BMSJAHLVSA-N
MW200.68 g/mol
LogP2.54
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide

N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide (PubChem CID 10750570) has the molecular formula C10H12ClNO and a molecular weight of 200.68 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide
PubChem CID10750570
Molecular FormulaC10H12ClNO
Molecular Weight200.68 g/mol
Exact Mass200.08
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide
SMILES[2H]C([2H])([2H])C(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-7H,1-2H3,(H,12,13)/i2D3
InChIKeyHGKOQCMPYYZGCI-BMSJAHLVSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.68
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
(2S)-2-[1-(4-chlorophenyl)ethylcarbamoylamino]propanoic acid
CID 54964203
4-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498873
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
N-[1-(4-chlorophenyl)ethyl]-2-methoxyacetamide
CID 18374039

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide (CID 10750570) is N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide is [2H]C([2H])([2H])C(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide?
The InChIKey is HGKOQCMPYYZGCI-BMSJAHLVSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7(12-8(2)13)9-3-5-10(11)6-4-9/h3-7H,1-2H3,(H,12,13)/i2D3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide?
N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide has a molecular weight of 200.68 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2,2,2-trideuterioacetamide is sourced from PubChem (CID 10750570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).