N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide

C10H18ClNO — CID 63394338

IUPACN-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCCl)C1CC1
InChIInChI=1S/C10H18ClNO/c1-10(2,3)9(13)12(7-6-11)8-4-5-8/h8H,4-7H2,1-3H3
InChIKeyQKIMSKFRFLYRNQ-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.26
Rot. Bonds3

About N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide

N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide (PubChem CID 63394338) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide
PubChem CID63394338
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N(CCCl)C1CC1
InChIInChI=1S/C10H18ClNO/c1-10(2,3)9(13)12(7-6-11)8-4-5-8/h8H,4-7H2,1-3H3
InChIKeyQKIMSKFRFLYRNQ-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide (CID 63394338) is N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide is CC(C)(C)C(=O)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide?
The InChIKey is QKIMSKFRFLYRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-10(2,3)9(13)12(7-6-11)8-4-5-8/h8H,4-7H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide?
N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide has a molecular weight of 203.71 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-2,2-dimethylpropanamide is sourced from PubChem (CID 63394338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).