2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide

C7H13Cl2NO2 — CID 130666285

IUPAC2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide
SMILESCC(O)C(C)NC(=O)C(C)(Cl)Cl
InChIInChI=1S/C7H13Cl2NO2/c1-4(5(2)11)10-6(12)7(3,8)9/h4-5,11H,1-3H3,(H,10,12)
InChIKeyCFMCYVGUTNBSGP-UHFFFAOYSA-N
MW214.09 g/mol
LogP1.07
Rot. Bonds3

About 2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide

2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide (PubChem CID 130666285) has the molecular formula C7H13Cl2NO2 and a molecular weight of 214.09 g/mol. Its IUPAC name is 2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide
PubChem CID130666285
Molecular FormulaC7H13Cl2NO2
Molecular Weight214.09 g/mol
Exact Mass213.03
IUPAC Name2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide
SMILESCC(O)C(C)NC(=O)C(C)(Cl)Cl
InChIInChI=1S/C7H13Cl2NO2/c1-4(5(2)11)10-6(12)7(3,8)9/h4-5,11H,1-3H3,(H,10,12)
InChIKeyCFMCYVGUTNBSGP-UHFFFAOYSA-N
XLogP1.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 51.07
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

2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide
CID 98331890
methyl N-(3-hydroxybutan-2-yl)carbamate
CID 20667189
N-[(1S)-1-(1-adamantyl)ethyl]-2,2-dichloropropanamide
CID 7741613
2-amino-2-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61264796
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 15210216
tert-butyl (2S,3S)-3-hydroxy-2-[(2,2,2-trichloroacetyl)amino]butanoate
CID 121215678
2,2-difluoro-N-propan-2-ylpropanamide
CID 130495307
2,2-dimethyl-N-(3-methylbutan-2-yl)butanamide
CID 123229484
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 115734890
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
2,2-dimethyl-N-[2,2,2-trichloro-1-(dimethylamino)ethyl]propanamide
CID 3091311
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-hydroxy-2-methylpropanamide
CID 119035408

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide?
The IUPAC name of 2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide (CID 130666285) is 2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide.
What is the SMILES notation for 2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide?
The canonical SMILES for 2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide is CC(O)C(C)NC(=O)C(C)(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide?
The InChIKey is CFMCYVGUTNBSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl2NO2/c1-4(5(2)11)10-6(12)7(3,8)9/h4-5,11H,1-3H3,(H,10,12).
What are the key properties of 2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide?
2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide has a molecular weight of 214.09 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(3-hydroxybutan-2-yl)propanamide is sourced from PubChem (CID 130666285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).