2-chloro-N-propan-2-ylpropanamide

C6H12ClNO — CID 4961779

IUPAC2-chloro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Cl
InChIInChI=1S/C6H12ClNO/c1-4(2)8-6(9)5(3)7/h4-5H,1-3H3,(H,8,9)
InChIKeyNVIZBBOTWUFFLR-UHFFFAOYSA-N
MW149.62 g/mol
LogP1.14
Rot. Bonds2

About 2-chloro-N-propan-2-ylpropanamide

2-chloro-N-propan-2-ylpropanamide (PubChem CID 4961779) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-chloro-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-ylpropanamide
PubChem CID4961779
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-chloro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Cl
InChIInChI=1S/C6H12ClNO/c1-4(2)8-6(9)5(3)7/h4-5H,1-3H3,(H,8,9)
InChIKeyNVIZBBOTWUFFLR-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
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-propan-2-ylpropanamide?
The IUPAC name of 2-chloro-N-propan-2-ylpropanamide (CID 4961779) is 2-chloro-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-chloro-N-propan-2-ylpropanamide?
The canonical SMILES for 2-chloro-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-propan-2-ylpropanamide?
The InChIKey is NVIZBBOTWUFFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-4(2)8-6(9)5(3)7/h4-5H,1-3H3,(H,8,9).
What are the key properties of 2-chloro-N-propan-2-ylpropanamide?
2-chloro-N-propan-2-ylpropanamide has a molecular weight of 149.62 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-ylpropanamide is sourced from PubChem (CID 4961779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).