2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide

C7H12ClNO — CID 9118398

IUPAC2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](NC(=O)CCl)C1CC1
InChIInChI=1S/C7H12ClNO/c1-5(6-2-3-6)9-7(10)4-8/h5-6H,2-4H2,1H3,(H,9,10)/t5-/m1/s1
InChIKeyPLCFXQXPDIHQAU-RXMQYKEDSA-N
MW161.63 g/mol
LogP1.14
Rot. Bonds3

About 2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide

2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide (PubChem CID 9118398) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide
PubChem CID9118398
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide
SMILESC[C@@H](NC(=O)CCl)C1CC1
InChIInChI=1S/C7H12ClNO/c1-5(6-2-3-6)9-7(10)4-8/h5-6H,2-4H2,1H3,(H,9,10)/t5-/m1/s1
InChIKeyPLCFXQXPDIHQAU-RXMQYKEDSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 51.14
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 2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide?
The IUPAC name of 2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide (CID 9118398) is 2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide is C[C@@H](NC(=O)CCl)C1CC1.
What is the InChIKey of 2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide?
The InChIKey is PLCFXQXPDIHQAU-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-5(6-2-3-6)9-7(10)4-8/h5-6H,2-4H2,1H3,(H,9,10)/t5-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide?
2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide has a molecular weight of 161.63 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-cyclopropylethyl]acetamide is sourced from PubChem (CID 9118398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).