[2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate

C14H18ClNO3 — CID 91568309

IUPAC[2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate
SMILESCC(C)(COC(=O)Cc1ccccc1)NC(=O)CCl
InChIInChI=1S/C14H18ClNO3/c1-14(2,16-12(17)9-15)10-19-13(18)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,17)
InChIKeyLSHVRGMYQHTNFZ-UHFFFAOYSA-N
MW283.75 g/mol
LogP1.91
Rot. Bonds6

About [2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate

[2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate (PubChem CID 91568309) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is [2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate
PubChem CID91568309
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name[2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate
SMILESCC(C)(COC(=O)Cc1ccccc1)NC(=O)CCl
InChIInChI=1S/C14H18ClNO3/c1-14(2,16-12(17)9-15)10-19-13(18)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,17)
InChIKeyLSHVRGMYQHTNFZ-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
acetyloxymethyl 2-phenylacetate
CID 121486345
ethyl 2-phenylacetate
CID 7590
N'-(2-chloroacetyl)-2-phenylacetohydrazide
CID 1133001
1,1-difluoro-2-(2-phenylacetyl)oxyethanesulfonic acid
CID 59318562
N-(2-methyl-1-phenylmethoxypropan-2-yl)-2-pyridin-4-ylacetamide
CID 119051213
2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 82130304
ethyl 2-phenylacetate;hydrate
CID 141257001
bis(2-phenylacetyl) 2-chloro-2-methylpropanedioate
CID 173141166
CID 172801156
CID 172801156
2-chloro-N-[(E)-2-methyl-3-phenylprop-1-enyl]acetamide
CID 139716898

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate?
The IUPAC name of [2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate (CID 91568309) is [2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate.
What is the SMILES notation for [2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate?
The canonical SMILES for [2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate is CC(C)(COC(=O)Cc1ccccc1)NC(=O)CCl.
What is the InChIKey of [2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate?
The InChIKey is LSHVRGMYQHTNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-14(2,16-12(17)9-15)10-19-13(18)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,17).
What are the key properties of [2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate?
[2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate has a molecular weight of 283.75 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloroacetyl)amino]-2-methylpropyl] 2-phenylacetate is sourced from PubChem (CID 91568309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).