2,2,3-trideuterio-N-phenylpropanamide

C9H11NO — CID 71772190

IUPAC2,2,3-trideuterio-N-phenylpropanamide
SMILES[2H]CC([2H])([2H])C(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)/i1D,2D2
InChIKeyZTHRQJQJODGZHV-APAIHEESSA-N
MW152.21 g/mol
LogP2.04
Rot. Bonds3

About 2,2,3-trideuterio-N-phenylpropanamide

2,2,3-trideuterio-N-phenylpropanamide (PubChem CID 71772190) has the molecular formula C9H11NO and a molecular weight of 152.21 g/mol. Its IUPAC name is 2,2,3-trideuterio-N-phenylpropanamide.

Molecular Properties

Compound Name2,2,3-trideuterio-N-phenylpropanamide
PubChem CID71772190
Molecular FormulaC9H11NO
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name2,2,3-trideuterio-N-phenylpropanamide
SMILES[2H]CC([2H])([2H])C(=O)Nc1ccccc1
InChIInChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)/i1D,2D2
InChIKeyZTHRQJQJODGZHV-APAIHEESSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-anilino-2-oxoethyl)sulfanium
CID 153278909
3-oxo-N-phenylbutanamide
CID 161275903
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
ethane;methane;N-phenylpropanamide
CID 159778408
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
3,3-difluoro-N-phenylbutanamide
CID 131059355
bis(2-anilino-2-oxoethyl)-ethyl-methylazanium
CID 123545617
4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
N'-hydroxy-N-phenylpropanediamide
CID 20721653
3-fluoro-N-phenylpropanamide
CID 70366284
gold;N-phenyl-2-sulfanylacetamide
CID 138394114
2-cyclopropyl-N-phenylacetamide
CID 60753326

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trideuterio-N-phenylpropanamide?
The IUPAC name of 2,2,3-trideuterio-N-phenylpropanamide (CID 71772190) is 2,2,3-trideuterio-N-phenylpropanamide.
What is the SMILES notation for 2,2,3-trideuterio-N-phenylpropanamide?
The canonical SMILES for 2,2,3-trideuterio-N-phenylpropanamide is [2H]CC([2H])([2H])C(=O)Nc1ccccc1.
What is the InChIKey of 2,2,3-trideuterio-N-phenylpropanamide?
The InChIKey is ZTHRQJQJODGZHV-APAIHEESSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)/i1D,2D2.
What are the key properties of 2,2,3-trideuterio-N-phenylpropanamide?
2,2,3-trideuterio-N-phenylpropanamide has a molecular weight of 152.21 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trideuterio-N-phenylpropanamide is sourced from PubChem (CID 71772190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).