N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide

C10H19Cl2NO — CID 150601461

IUPACN-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(CCl)CCl
InChIInChI=1S/C10H19Cl2NO/c1-10(2,3)9(14)13-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyIRYVBNUKYZHUGA-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.63
Rot. Bonds5

About N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide

N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide (PubChem CID 150601461) has the molecular formula C10H19Cl2NO and a molecular weight of 240.17 g/mol. Its IUPAC name is N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide
PubChem CID150601461
Molecular FormulaC10H19Cl2NO
Molecular Weight240.17 g/mol
Exact Mass239.08
IUPAC NameN-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCC(CCl)CCl
InChIInChI=1S/C10H19Cl2NO/c1-10(2,3)9(14)13-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyIRYVBNUKYZHUGA-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.63
H-Bond Donors ≤ 51
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-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide (CID 150601461) is N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCC(CCl)CCl.
What is the InChIKey of N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide?
The InChIKey is IRYVBNUKYZHUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Cl2NO/c1-10(2,3)9(14)13-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide?
N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide has a molecular weight of 240.17 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(chloromethyl)butyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 150601461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).