3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide

C13H17ClN2O2 — CID 114167195

IUPAC3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)C(Cl)c1ccccc1)C(N)=O
InChIInChI=1S/C13H17ClN2O2/c1-13(2,12(15)18)8-16-11(17)10(14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyBKBBBVBTDNNZHV-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.59
Rot. Bonds5

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

3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide (PubChem CID 114167195) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide
PubChem CID114167195
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNC(=O)C(Cl)c1ccccc1)C(N)=O
InChIInChI=1S/C13H17ClN2O2/c1-13(2,12(15)18)8-16-11(17)10(14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyBKBBBVBTDNNZHV-UHFFFAOYSA-N
XLogP1.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.59
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]-N,2,2-trimethylpropanamide
CID 106275818
2-chloro-N-(2-hydroxy-2,4-dimethylpentyl)-2-phenylacetamide
CID 66173478
3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
CID 106276438
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,2-dimethylpropanamide;hydrochloride
CID 119296279
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide
CID 95570545
2-chloro-N-(3-hydroxypropyl)-2-phenylacetamide
CID 4133404
2-chloro-N-[2-(methylamino)-2-oxoethyl]-2-phenylacetamide
CID 43310552
2-chloro-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 61239080
3-amino-N-(2,2-dimethylpropyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877060
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
CID 119326915

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide (CID 114167195) is 3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide is CC(C)(CNC(=O)C(Cl)c1ccccc1)C(N)=O.
What is the InChIKey of 3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide?
The InChIKey is BKBBBVBTDNNZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-13(2,12(15)18)8-16-11(17)10(14)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide?
3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide has a molecular weight of 268.74 g/mol, XLogP of 1.59, 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 114167195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).