3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide

C11H20Cl2N2O2 — CID 4135025

IUPAC3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCCl)CNC(=O)CCCl
InChIInChI=1S/C11H20Cl2N2O2/c1-11(2,7-14-9(16)3-5-12)8-15-10(17)4-6-13/h3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJMDOMIJMYXFLEU-UHFFFAOYSA-N
MW283.20 g/mol
LogP1.50
Rot. Bonds8

About 3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide

3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide (PubChem CID 4135025) has the molecular formula C11H20Cl2N2O2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide
PubChem CID4135025
Molecular FormulaC11H20Cl2N2O2
Molecular Weight283.20 g/mol
Exact Mass282.09
IUPAC Name3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide
SMILESCC(C)(CNC(=O)CCCl)CNC(=O)CCCl
InChIInChI=1S/C11H20Cl2N2O2/c1-11(2,7-14-9(16)3-5-12)8-15-10(17)4-6-13/h3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJMDOMIJMYXFLEU-UHFFFAOYSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 51.50
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-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106145976
N-(4-chloro-2,2-dimethylbutyl)-4,4,4-trifluorobutanamide
CID 106143278
N-[2,2-dimethyl-3-(methylamino)propyl]-4,4-dimethylpentanamide
CID 115271206
N-[2,2-dimethyl-3-(octanoylamino)propyl]octanamide
CID 5147569
3-chloro-N-[2-(4-chlorophenyl)-2-methylpropyl]propanamide
CID 110480800
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-4-oxobutanoic acid
CID 110465776
3-chloro-N-(2-methyl-4-oxopentan-2-yl)propanamide
CID 86004793
N-[2,2-dimethyl-3-(methylamino)propyl]heptanamide
CID 115271233
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 61251175
3-chloro-N-(2-hydroxypropyl)propanamide
CID 59011978
N-[2-(3-bromophenyl)-2-methylpropyl]-3-chloropropanamide
CID 115162745
tert-butyl N-[2-[2-(3-chloropropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108570337

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide?
The IUPAC name of 3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide (CID 4135025) is 3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide.
What is the SMILES notation for 3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide?
The canonical SMILES for 3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide is CC(C)(CNC(=O)CCCl)CNC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide?
The InChIKey is JMDOMIJMYXFLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20Cl2N2O2/c1-11(2,7-14-9(16)3-5-12)8-15-10(17)4-6-13/h3-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide?
3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide has a molecular weight of 283.20 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide is sourced from PubChem (CID 4135025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).