N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide

C8H16ClNO — CID 104555861

IUPACN-(1-chloropropan-2-yl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C(C)CCl
InChIInChI=1S/C8H16ClNO/c1-6(2)8(11)10(4)7(3)5-9/h6-7H,5H2,1-4H3
InChIKeyLDEFGYNTNPXZSN-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.73
Rot. Bonds3

About N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide

N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide (PubChem CID 104555861) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N,2-dimethylpropanamide
PubChem CID104555861
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC NameN-(1-chloropropan-2-yl)-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)C(C)CCl
InChIInChI=1S/C8H16ClNO/c1-6(2)8(11)10(4)7(3)5-9/h6-7H,5H2,1-4H3
InChIKeyLDEFGYNTNPXZSN-UHFFFAOYSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.73
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

N-(1-chloropropan-2-yl)-N-methylacetamide
CID 104555726
N,2-dimethyl-N-[(2R)-4-methylpentan-2-yl]propanamide
CID 153298886
N-(1-chloropropan-2-yl)-N,3-dimethylbutanamide
CID 104555865
3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide
CID 62726602
N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
CID 104555692
N-(4-ethylhexan-3-yl)-N,2-dimethylpropanamide
CID 142091600
N-(1-chloropropan-2-yl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 104555904
N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
CID 104555934
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
CID 76987705
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
N-ethyl-2-methyl-N-propan-2-ylpropanamide
CID 157175110
N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide
CID 104555656

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide (CID 104555861) is N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide is CC(C)C(=O)N(C)C(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide?
The InChIKey is LDEFGYNTNPXZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO/c1-6(2)8(11)10(4)7(3)5-9/h6-7H,5H2,1-4H3.
What are the key properties of N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide?
N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide has a molecular weight of 177.67 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N,2-dimethylpropanamide is sourced from PubChem (CID 104555861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).