N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide

C11H18ClNO — CID 63683466

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C11H18ClNO/c1-7(12)11(14)13-6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeyCXUGOYSXFBICAI-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.17
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide (PubChem CID 63683466) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
PubChem CID63683466
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
SMILESCC(Cl)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C11H18ClNO/c1-7(12)11(14)13-6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeyCXUGOYSXFBICAI-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.17
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

N-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]-2-chloropropanamide
CID 63684997
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)hexanamide
CID 63684003
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
CID 63681793
4-amino-5-(2-bicyclo[2.2.1]heptanylmethylamino)-5-oxopentanoic acid
CID 64888968
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-methylpropyl)thiourea
CID 115602002
N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide
CID 63684817
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-phenylacetamide
CID 55232631
2-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)propanamide
CID 130164935

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide (CID 63683466) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide is CC(Cl)C(=O)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide?
The InChIKey is CXUGOYSXFBICAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-7(12)11(14)13-6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide has a molecular weight of 215.72 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide is sourced from PubChem (CID 63683466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).