3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide

C8H14ClNO — CID 62726487

IUPAC3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide
SMILESCC(CCl)C(=O)NC1CC1C
InChIInChI=1S/C8H14ClNO/c1-5-3-7(5)10-8(11)6(2)4-9/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyKOCHBCIXILRENE-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.39
Rot. Bonds3

About 3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide

3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide (PubChem CID 62726487) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide
PubChem CID62726487
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide
SMILESCC(CCl)C(=O)NC1CC1C
InChIInChI=1S/C8H14ClNO/c1-5-3-7(5)10-8(11)6(2)4-9/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyKOCHBCIXILRENE-UHFFFAOYSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide (CID 62726487) is 3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide is CC(CCl)C(=O)NC1CC1C.
What is the InChIKey of 3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide?
The InChIKey is KOCHBCIXILRENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-5-3-7(5)10-8(11)6(2)4-9/h5-7H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide?
3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide has a molecular weight of 175.66 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide is sourced from PubChem (CID 62726487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).