2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide

C7H13ClFNO — CID 177014597

IUPAC2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)C(F)Cl
InChIInChI=1S/C7H13ClFNO/c1-4(2)5(3)10-7(11)6(8)9/h4-6H,1-3H3,(H,10,11)
InChIKeyAEBJJEHUCBKQQP-UHFFFAOYSA-N
MW181.64 g/mol
LogP1.68
Rot. Bonds3

About 2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide

2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide (PubChem CID 177014597) has the molecular formula C7H13ClFNO and a molecular weight of 181.64 g/mol. Its IUPAC name is 2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide
PubChem CID177014597
Molecular FormulaC7H13ClFNO
Molecular Weight181.64 g/mol
Exact Mass181.07
IUPAC Name2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)C(F)Cl
InChIInChI=1S/C7H13ClFNO/c1-4(2)5(3)10-7(11)6(8)9/h4-6H,1-3H3,(H,10,11)
InChIKeyAEBJJEHUCBKQQP-UHFFFAOYSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.64
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-2-fluoro-N-(3-methylbutan-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

Related Compounds

2-chloro-N-(1-methylethyl)acetamide
CID 76171
2-Chloro-N-isobutylacetamide
CID 222359
2-chloro-N-(propan-2-yl)propanamide
CID 4961779
2-chloro-N-(3-methylbutyl)acetamide
CID 2384240
2-chloro-N-(2-methylpropyl)propanamide
CID 20441641
N-(butan-2-yl)-2-chloroacetamide
CID 3138632
2-chloro-N-(pentan-2-yl)acetamide
CID 4048512
2-Chloro-N-(1-methylpropyl)propanamide
CID 14711532
2-chloro-N-(1-cyclopropylethyl)acetamide
CID 16226952
N-Isopropyl chlorofluoroacetamide
CID 13885084
N-butyl-2-chloro-2-fluoroacetamide
CID 119097971
2-chloro-N-(1,1,1-trifluoropropan-2-yl)acetamide
CID 124159249

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide (CID 177014597) is 2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)C(F)Cl.
What is the InChIKey of 2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is AEBJJEHUCBKQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClFNO/c1-4(2)5(3)10-7(11)6(8)9/h4-6H,1-3H3,(H,10,11).
What are the key properties of 2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide?
2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 181.64 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-fluoro-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 177014597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).