2-chloro-N-(dicyclopropylmethyl)acetamide

C9H14ClNO — CID 47002124

IUPAC2-chloro-N-(dicyclopropylmethyl)acetamide
SMILESO=C(CCl)NC(C1CC1)C1CC1
InChIInChI=1S/C9H14ClNO/c10-5-8(12)11-9(6-1-2-6)7-3-4-7/h6-7,9H,1-5H2,(H,11,12)
InChIKeyGHRBQHSEYVRZNP-UHFFFAOYSA-N
MW187.67 g/mol
LogP1.53
Rot. Bonds4

About 2-chloro-N-(dicyclopropylmethyl)acetamide

2-chloro-N-(dicyclopropylmethyl)acetamide (PubChem CID 47002124) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 2-chloro-N-(dicyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(dicyclopropylmethyl)acetamide
PubChem CID47002124
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name2-chloro-N-(dicyclopropylmethyl)acetamide
SMILESO=C(CCl)NC(C1CC1)C1CC1
InChIInChI=1S/C9H14ClNO/c10-5-8(12)11-9(6-1-2-6)7-3-4-7/h6-7,9H,1-5H2,(H,11,12)
InChIKeyGHRBQHSEYVRZNP-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.53
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-(dicyclopropylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(dicyclopropylmethyl)acetamide (CID 47002124) is 2-chloro-N-(dicyclopropylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(dicyclopropylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(dicyclopropylmethyl)acetamide is O=C(CCl)NC(C1CC1)C1CC1.
What is the InChIKey of 2-chloro-N-(dicyclopropylmethyl)acetamide?
The InChIKey is GHRBQHSEYVRZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO/c10-5-8(12)11-9(6-1-2-6)7-3-4-7/h6-7,9H,1-5H2,(H,11,12).
What are the key properties of 2-chloro-N-(dicyclopropylmethyl)acetamide?
2-chloro-N-(dicyclopropylmethyl)acetamide has a molecular weight of 187.67 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(dicyclopropylmethyl)acetamide is sourced from PubChem (CID 47002124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).