2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide

C9H16ClNO — CID 63864984

IUPAC2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
SMILESCC(Cl)C(=O)N(C)CC1CC1C
InChIInChI=1S/C9H16ClNO/c1-6-4-8(6)5-11(3)9(12)7(2)10/h6-8H,4-5H2,1-3H3
InChIKeyDAZRWUKVBGPQBL-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.73
Rot. Bonds3

About 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide

2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide (PubChem CID 63864984) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
PubChem CID63864984
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
SMILESCC(Cl)C(=O)N(C)CC1CC1C
InChIInChI=1S/C9H16ClNO/c1-6-4-8(6)5-11(3)9(12)7(2)10/h6-8H,4-5H2,1-3H3
InChIKeyDAZRWUKVBGPQBL-UHFFFAOYSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
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

1-Propanone, 2-chloro-1-(4-methyl-1-piperidinyl)-
CID 5155622
2-Chloro-n,n-dipentylacetamide
CID 222384
2-chloro-N,N-bis(3-methylbutyl)acetamide
CID 2386089
Chloroacetamide, N,N-dihexyl-
CID 533169
2-chloro-N-(cyclopropylmethyl)-N-propylacetamide
CID 2384361
2-chloro-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 54592469
2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide
CID 54592470
Propanamide, N,N-dihexyl-2-chloro-
CID 533081
Chloroacetamide, N-ethyl-N-3-methylbutyl-
CID 91693903
Chloroacetamide, N-ethyl-N-pentyl-
CID 91693904
Chloroacetamide, N-ethyl-N-hexyl-
CID 91693905
Piperidine, 1-(2-chloro-1-oxopropyl)-3,5-dimethyl-
CID 3924973

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide?
The IUPAC name of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide (CID 63864984) is 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide is CC(Cl)C(=O)N(C)CC1CC1C.
What is the InChIKey of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide?
The InChIKey is DAZRWUKVBGPQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-6-4-8(6)5-11(3)9(12)7(2)10/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide?
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide has a molecular weight of 189.69 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 2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide is sourced from PubChem (CID 63864984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).