2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide

C9H18ClNO — CID 93344235

IUPAC2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@@H](C)N(C)C(=O)CCl
InChIInChI=1S/C9H18ClNO/c1-7(2)5-8(3)11(4)9(12)6-10/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyWMUMRQSTMKKUNL-MRVPVSSYSA-N
MW191.70 g/mol
LogP2.12
Rot. Bonds4

About 2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide

2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide (PubChem CID 93344235) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
PubChem CID93344235
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide
SMILESCC(C)C[C@@H](C)N(C)C(=O)CCl
InChIInChI=1S/C9H18ClNO/c1-7(2)5-8(3)11(4)9(12)6-10/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyWMUMRQSTMKKUNL-MRVPVSSYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide (CID 93344235) is 2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide is CC(C)C[C@@H](C)N(C)C(=O)CCl.
What is the InChIKey of 2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide?
The InChIKey is WMUMRQSTMKKUNL-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18ClNO/c1-7(2)5-8(3)11(4)9(12)6-10/h7-8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of 2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide?
2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide has a molecular weight of 191.70 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(2R)-4-methylpentan-2-yl]acetamide is sourced from PubChem (CID 93344235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).