2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide

C10H17ClN2O2 — CID 107420081

IUPAC2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
SMILESCC1CCCC1CNC(=O)NC(=O)CCl
InChIInChI=1S/C10H17ClN2O2/c1-7-3-2-4-8(7)6-12-10(15)13-9(14)5-11/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyPICOCMWICYAVAO-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.49
Rot. Bonds3

About 2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide

2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide (PubChem CID 107420081) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
PubChem CID107420081
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
SMILESCC1CCCC1CNC(=O)NC(=O)CCl
InChIInChI=1S/C10H17ClN2O2/c1-7-3-2-4-8(7)6-12-10(15)13-9(14)5-11/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyPICOCMWICYAVAO-UHFFFAOYSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
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

3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107419034
(2-methylcyclopentyl)methylurea
CID 107417745
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
2-chloro-N-[(4-methylcyclohexyl)methylcarbamoyl]acetamide
CID 63244328
N-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)-2-chloroacetamide
CID 63684817
(E)-4-[(2-methylcyclohexyl)methylcarbamoylamino]-4-oxobut-2-enoic acid
CID 55011790
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
3-chloro-2,2-dimethyl-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417691
3-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417700
3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417690
N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide
CID 107416399
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide (CID 107420081) is 2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide is CC1CCCC1CNC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide?
The InChIKey is PICOCMWICYAVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-7-3-2-4-8(7)6-12-10(15)13-9(14)5-11/h7-8H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide?
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide has a molecular weight of 232.71 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 2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide is sourced from PubChem (CID 107420081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).