N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide

C11H17ClN2O2 — CID 63684817

IUPACN-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide
SMILESO=C(CCl)NC(=O)NCC1CC2CCC1C2
InChIInChI=1S/C11H17ClN2O2/c12-5-10(15)14-11(16)13-6-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H2,13,14,15,16)
InChIKeyRABZSRQAZURTGV-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.49
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide

N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide (PubChem CID 63684817) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide
PubChem CID63684817
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide
SMILESO=C(CCl)NC(=O)NCC1CC2CCC1C2
InChIInChI=1S/C11H17ClN2O2/c12-5-10(15)14-11(16)13-6-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H2,13,14,15,16)
InChIKeyRABZSRQAZURTGV-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-5-oxopentanoic acid
CID 63682016
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
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
CID 55231648
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081
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-cyclohexylurea
CID 26974944
4-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007519
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
2-(2-bicyclo[2.2.1]heptanyl)-N-[[2-(chloromethyl)cyclopentyl]methyl]acetamide
CID 113273845
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
2-[2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-oxoethoxy]acetic acid
CID 63683448

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide (CID 63684817) is N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide is O=C(CCl)NC(=O)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide?
The InChIKey is RABZSRQAZURTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c12-5-10(15)14-11(16)13-6-9-4-7-1-2-8(9)3-7/h7-9H,1-6H2,(H2,13,14,15,16).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide?
N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide has a molecular weight of 244.72 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide is sourced from PubChem (CID 63684817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).