3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide

C9H18ClNO2 — CID 18185421

IUPAC3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(CO)NC(=O)C(C)(C)CCl
InChIInChI=1S/C9H18ClNO2/c1-8(2,5-10)7(13)11-9(3,4)6-12/h12H,5-6H2,1-4H3,(H,11,13)
InChIKeyFQFBMDUBIQSECL-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.14
Rot. Bonds4

About 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide

3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide (PubChem CID 18185421) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide
PubChem CID18185421
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(CO)NC(=O)C(C)(C)CCl
InChIInChI=1S/C9H18ClNO2/c1-8(2,5-10)7(13)11-9(3,4)6-12/h12H,5-6H2,1-4H3,(H,11,13)
InChIKeyFQFBMDUBIQSECL-UHFFFAOYSA-N
XLogP1.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.14
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-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 61251175
2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide
CID 107857130
3-chloro-N-methoxy-2,2-dimethylpropanamide
CID 55298436
2-cyano-2,2-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 130612693
3-chloro-N-cyclobutyl-2,2-dimethylpropanamide
CID 63664456
N-(2-chloroethyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108514050
2,2,3,3,4,4,5,5,5-nonafluoro-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
CID 5057745
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 79249535
3-chloro-2,2-dimethyl-N-prop-2-ynylpropanamide
CID 63679765
3-chloro-2,2-dimethyl-N-(2,4,6-trichlorophenyl)propanamide
CID 63679954
3-chloro-2,2-dimethyl-N-(2-methylprop-2-enyl)propanamide
CID 114615978
1-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)urea
CID 108866090

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide (CID 18185421) is 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide is CC(C)(CO)NC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide?
The InChIKey is FQFBMDUBIQSECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2/c1-8(2,5-10)7(13)11-9(3,4)6-12/h12H,5-6H2,1-4H3,(H,11,13).
What are the key properties of 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide?
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide has a molecular weight of 207.70 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 18185421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).