4,5-dichloro-N,N,3,3-tetramethylpentanamide

C9H17Cl2NO — CID 170564857

IUPAC4,5-dichloro-N,N,3,3-tetramethylpentanamide
SMILESCN(C)C(=O)CC(C)(C)C(Cl)CCl
InChIInChI=1S/C9H17Cl2NO/c1-9(2,7(11)6-10)5-8(13)12(3)4/h7H,5-6H2,1-4H3
InChIKeyPPIGXDSMJBAVMC-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.34
Rot. Bonds4

About 4,5-dichloro-N,N,3,3-tetramethylpentanamide

4,5-dichloro-N,N,3,3-tetramethylpentanamide (PubChem CID 170564857) has the molecular formula C9H17Cl2NO and a molecular weight of 226.15 g/mol. Its IUPAC name is 4,5-dichloro-N,N,3,3-tetramethylpentanamide.

Molecular Properties

Compound Name4,5-dichloro-N,N,3,3-tetramethylpentanamide
PubChem CID170564857
Molecular FormulaC9H17Cl2NO
Molecular Weight226.15 g/mol
Exact Mass225.07
IUPAC Name4,5-dichloro-N,N,3,3-tetramethylpentanamide
SMILESCN(C)C(=O)CC(C)(C)C(Cl)CCl
InChIInChI=1S/C9H17Cl2NO/c1-9(2,7(11)6-10)5-8(13)12(3)4/h7H,5-6H2,1-4H3
InChIKeyPPIGXDSMJBAVMC-UHFFFAOYSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-N,N-dimethylbutanamide
CID 130667654
N,N,3-trimethyl-3-sulfanylbutanamide
CID 90216913
N,N,3,3-tetramethylpentanamide
CID 23394541
4-amino-3-[2,2-dimethylpropyl(methyl)amino]-N,N-dimethylbutanamide
CID 66432485
N,N,3,3-tetramethylpent-4-enamide
CID 13020109
(3R)-3,5-dihydroxy-N,N,3-trimethylpentanamide
CID 87266925
ethyl 4-(dimethylamino)-2-hydroxy-2-methyl-4-oxobutanoate
CID 87491131
(3R)-3-hydroxy-N,N,4,4-tetramethylpentanamide
CID 13197450
3-chloro-4,4-dimethylpentanoic acid
CID 87203754
tert-butyl 2-amino-4-(dimethylamino)-2-methyl-4-oxobutanoate
CID 175133888
ethyl N-(1-chlorobutan-2-yl)-N-methylcarbamate
CID 54188517
N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 12636379

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N,N,3,3-tetramethylpentanamide?
The IUPAC name of 4,5-dichloro-N,N,3,3-tetramethylpentanamide (CID 170564857) is 4,5-dichloro-N,N,3,3-tetramethylpentanamide.
What is the SMILES notation for 4,5-dichloro-N,N,3,3-tetramethylpentanamide?
The canonical SMILES for 4,5-dichloro-N,N,3,3-tetramethylpentanamide is CN(C)C(=O)CC(C)(C)C(Cl)CCl.
What is the InChIKey of 4,5-dichloro-N,N,3,3-tetramethylpentanamide?
The InChIKey is PPIGXDSMJBAVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl2NO/c1-9(2,7(11)6-10)5-8(13)12(3)4/h7H,5-6H2,1-4H3.
What are the key properties of 4,5-dichloro-N,N,3,3-tetramethylpentanamide?
4,5-dichloro-N,N,3,3-tetramethylpentanamide has a molecular weight of 226.15 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N,N,3,3-tetramethylpentanamide is sourced from PubChem (CID 170564857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).