2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide

C10H16ClNO — CID 54592470

IUPAC2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide
SMILESCC(C1CC1)N(C(=O)CCl)C1CC1
InChIInChI=1S/C10H16ClNO/c1-7(8-2-3-8)12(9-4-5-9)10(13)6-11/h7-9H,2-6H2,1H3
InChIKeyQFAFXMQORPJBHS-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.01
Rot. Bonds4

About 2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide

2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide (PubChem CID 54592470) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide
PubChem CID54592470
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide
SMILESCC(C1CC1)N(C(=O)CCl)C1CC1
InChIInChI=1S/C10H16ClNO/c1-7(8-2-3-8)12(9-4-5-9)10(13)6-11/h7-9H,2-6H2,1H3
InChIKeyQFAFXMQORPJBHS-UHFFFAOYSA-N
XLogP2.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.01
H-Bond Donors ≤ 50
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-cyclopropyl-N-(1-cyclopropylethyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide (CID 54592470) is 2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide is CC(C1CC1)N(C(=O)CCl)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide?
The InChIKey is QFAFXMQORPJBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO/c1-7(8-2-3-8)12(9-4-5-9)10(13)6-11/h7-9H,2-6H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide?
2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide has a molecular weight of 201.70 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(1-cyclopropylethyl)acetamide is sourced from PubChem (CID 54592470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).