2-chloro-N-(cyclopropylmethyl)acetamide

C6H10ClNO — CID 18524753

IUPAC2-chloro-N-(cyclopropylmethyl)acetamide
SMILESO=C(CCl)NCC1CC1
InChIInChI=1S/C6H10ClNO/c7-3-6(9)8-4-5-1-2-5/h5H,1-4H2,(H,8,9)
InChIKeyDSXCOZAXXDGYAX-UHFFFAOYSA-N
MW147.60 g/mol
LogP0.75
Rot. Bonds3

About 2-chloro-N-(cyclopropylmethyl)acetamide

2-chloro-N-(cyclopropylmethyl)acetamide (PubChem CID 18524753) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)acetamide
PubChem CID18524753
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name2-chloro-N-(cyclopropylmethyl)acetamide
SMILESO=C(CCl)NCC1CC1
InChIInChI=1S/C6H10ClNO/c7-3-6(9)8-4-5-1-2-5/h5H,1-4H2,(H,8,9)
InChIKeyDSXCOZAXXDGYAX-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 50.75
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-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)acetamide (CID 18524753) is 2-chloro-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)acetamide is O=C(CCl)NCC1CC1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)acetamide?
The InChIKey is DSXCOZAXXDGYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c7-3-6(9)8-4-5-1-2-5/h5H,1-4H2,(H,8,9).
What are the key properties of 2-chloro-N-(cyclopropylmethyl)acetamide?
2-chloro-N-(cyclopropylmethyl)acetamide has a molecular weight of 147.60 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 18524753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).