2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide

C14H24ClNO — CID 114305540

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CCl)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H24ClNO/c1-9(2)13(8-15)16-14(17)7-12-6-10-3-4-11(12)5-10/h9-13H,3-8H2,1-2H3,(H,16,17)
InChIKeyFUKQTQFBHMKDPB-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.19
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide (PubChem CID 114305540) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide
PubChem CID114305540
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide
SMILESCC(C)C(CCl)NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H24ClNO/c1-9(2)13(8-15)16-14(17)7-12-6-10-3-4-11(12)5-10/h9-13H,3-8H2,1-2H3,(H,16,17)
InChIKeyFUKQTQFBHMKDPB-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyano-2-methylpropyl)acetamide
CID 63931263
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
2-[(2R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]acetamide
CID 58363507
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941108
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-chloro-1-phenylethyl)acetamide
CID 114300183
2-[2-[2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 21175593
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51187782
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-cyanopropyl)acetamide
CID 55137320
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]pentanoic acid
CID 43630318
2-(2-bicyclo[2.2.1]heptanyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 55576995

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide (CID 114305540) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide is CC(C)C(CCl)NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide?
The InChIKey is FUKQTQFBHMKDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c1-9(2)13(8-15)16-14(17)7-12-6-10-3-4-11(12)5-10/h9-13H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide has a molecular weight of 257.80 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(1-chloro-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 114305540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).