N-(1-chloropropan-2-yl)-N-methylacetamide

C6H12ClNO — CID 104555726

IUPACN-(1-chloropropan-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C(C)CCl
InChIInChI=1S/C6H12ClNO/c1-5(4-7)8(3)6(2)9/h5H,4H2,1-3H3
InChIKeyQVBRWAKVHZFACF-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.09
Rot. Bonds2

About N-(1-chloropropan-2-yl)-N-methylacetamide

N-(1-chloropropan-2-yl)-N-methylacetamide (PubChem CID 104555726) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N-methylacetamide
PubChem CID104555726
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC NameN-(1-chloropropan-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C(C)CCl
InChIInChI=1S/C6H12ClNO/c1-5(4-7)8(3)6(2)9/h5H,4H2,1-3H3
InChIKeyQVBRWAKVHZFACF-UHFFFAOYSA-N
XLogP1.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 51.09
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,2-dimethylpropanamide
CID 104555861
N-(1-chloropropan-2-yl)-N,3-dimethylbutanamide
CID 104555865
N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 99908303
N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 112692053
N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
CID 104555692
N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
CID 104555934
N-[1-(diethylamino)ethyl]-N-methylacetamide
CID 141054197
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
N-(1-chloropropan-2-yl)-4-hydroxy-N-methylbenzamide
CID 104555656
N-(1-chloropropan-2-yl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 104555904
N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 59974512
N-(1-chloropropan-2-yl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107184308

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N-methylacetamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N-methylacetamide (CID 104555726) is N-(1-chloropropan-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N-methylacetamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N-methylacetamide is CC(=O)N(C)C(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-N-methylacetamide?
The InChIKey is QVBRWAKVHZFACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-5(4-7)8(3)6(2)9/h5H,4H2,1-3H3.
What are the key properties of N-(1-chloropropan-2-yl)-N-methylacetamide?
N-(1-chloropropan-2-yl)-N-methylacetamide has a molecular weight of 149.62 g/mol, XLogP of 1.09, 2 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-methylacetamide is sourced from PubChem (CID 104555726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).