N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide

C12H21Cl2NO — CID 107184249

IUPACN-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(CCl)(CCl)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C12H21Cl2NO/c1-11(2)6-4-5-9(11)10(16)15-12(3,7-13)8-14/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyAEDVOQWXPRIZOO-UHFFFAOYSA-N
MW266.21 g/mol
LogP3.17
Rot. Bonds4

About N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide

N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107184249) has the molecular formula C12H21Cl2NO and a molecular weight of 266.21 g/mol. Its IUPAC name is N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107184249
Molecular FormulaC12H21Cl2NO
Molecular Weight266.21 g/mol
Exact Mass265.10
IUPAC NameN-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCC(CCl)(CCl)NC(=O)C1CCCC1(C)C
InChIInChI=1S/C12H21Cl2NO/c1-11(2)6-4-5-9(11)10(16)15-12(3,7-13)8-14/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyAEDVOQWXPRIZOO-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-chloro-2-cyclopentylacetamide
CID 62224971
N-(1,3-dichloro-2-methylpropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 81965653
N-(1,3-dichloro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 81965701
2-cyclopentyl-N-(1,3-dichloro-2-methylpropan-2-yl)acetamide
CID 81965899
N-(1,3-dichloro-2-methylpropan-2-yl)-3,4,4-trimethylpentanamide
CID 81965977
N-(1,3-dichloro-2-methylpropan-2-yl)cyclohexanecarboxamide
CID 81966012
N-(1,3-dichloro-2-methylpropan-2-yl)cycloheptanecarboxamide
CID 81966140
N-(1,3-dichloro-2-methylpropan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 81966156
3-cyclopentyl-N-(1,3-dichloro-2-methylpropan-2-yl)propanamide
CID 81966295
4-tert-butyl-N-(1,3-dichloro-2-methylpropan-2-yl)cyclohexane-1-carboxamide
CID 81966313
2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dichloro-2-methylpropan-2-yl)acetamide
CID 81966359
N-(1,3-dichloro-2-methylpropan-2-yl)-2-ethylhexanamide
CID 81966389

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107184249) is N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide is CC(CCl)(CCl)NC(=O)C1CCCC1(C)C.
What is the InChIKey of N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is AEDVOQWXPRIZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Cl2NO/c1-11(2)6-4-5-9(11)10(16)15-12(3,7-13)8-14/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 266.21 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107184249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).