3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide

C14H19ClN2O2 — CID 106275818

IUPAC3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H19ClN2O2/c1-14(2,13(19)16-3)9-17-12(18)11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyPYXMDTBTSVCLGB-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.85
Rot. Bonds5

About 3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide

3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106275818) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide
PubChem CID106275818
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)C(Cl)c1ccccc1
InChIInChI=1S/C14H19ClN2O2/c1-14(2,13(19)16-3)9-17-12(18)11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyPYXMDTBTSVCLGB-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide
CID 114167195
2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide
CID 66173478
2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide
CID 43310552
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]benzoic acid
CID 106275615
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 103824551
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106313002
3-[[N-(3-hydroxy-2-phenylpropyl)-N'-methylcarbamimidoyl]amino]-N,2,2-trimethylpropanamide
CID 109408599
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate
CID 106276941
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 61251452
2-chloro-N-[2-(N-methylanilino)ethyl]-2-phenylacetamide
CID 43168069

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide (CID 106275818) is 3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)C(Cl)c1ccccc1.
What is the InChIKey of 3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is PYXMDTBTSVCLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-14(2,13(19)16-3)9-17-12(18)11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide?
3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 282.77 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106275818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).