2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride

C11H14Cl3NO3 — CID 172835008

IUPAC2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride
SMILESCl.O=C(NC(CO)C(O)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C11H13Cl2NO3.ClH/c12-10(13)11(17)14-8(6-15)9(16)7-4-2-1-3-5-7;/h1-5,8-10,15-16H,6H2,(H,14,17);1H
InChIKeyWALSBJSXHNHNGW-UHFFFAOYSA-N
MW314.60 g/mol
LogP1.42
Rot. Bonds5

About 2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride

2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride (PubChem CID 172835008) has the molecular formula C11H14Cl3NO3 and a molecular weight of 314.60 g/mol. Its IUPAC name is 2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride
PubChem CID172835008
Molecular FormulaC11H14Cl3NO3
Molecular Weight314.60 g/mol
Exact Mass313.00
IUPAC Name2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride
SMILESCl.O=C(NC(CO)C(O)c1ccccc1)C(Cl)Cl
InChIInChI=1S/C11H13Cl2NO3.ClH/c12-10(13)11(17)14-8(6-15)9(16)7-4-2-1-3-5-7;/h1-5,8-10,15-16H,6H2,(H,14,17);1H
InChIKeyWALSBJSXHNHNGW-UHFFFAOYSA-N
XLogP1.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.60
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[1-(4-chlorophenyl)-1,3-dihydroxypropan-2-yl]acetamide
CID 23274982
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)propan-2-yl]acetamide
CID 136985356
aniline;cobalt;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;platinum
CID 175608739
sodium;2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;hydride
CID 174959839
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylprop-2-enamide
CID 101364759
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide;2-sulfanylacetic acid
CID 88666679
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-aminoacetic acid;2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide;sulfuric acid
CID 21119441
disodium;butanedioate;2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 67035474
benzyl N-[(2S)-1-[[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 15514013
4-[(1R)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-hydroxypropyl]benzoic acid
CID 58631113

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride?
The IUPAC name of 2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride (CID 172835008) is 2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride.
What is the SMILES notation for 2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride?
The canonical SMILES for 2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride is Cl.O=C(NC(CO)C(O)c1ccccc1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride?
The InChIKey is WALSBJSXHNHNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3.ClH/c12-10(13)11(17)14-8(6-15)9(16)7-4-2-1-3-5-7;/h1-5,8-10,15-16H,6H2,(H,14,17);1H.
What are the key properties of 2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride?
2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride has a molecular weight of 314.60 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 172835008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).