2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide

C9H15ClN2O2 — CID 130892509

IUPAC2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide
SMILESCC1CC(NC(=O)NC(=O)CCl)C1C
InChIInChI=1S/C9H15ClN2O2/c1-5-3-7(6(5)2)11-9(14)12-8(13)4-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyYFYWJWWFRKILPE-UHFFFAOYSA-N
MW218.68 g/mol
LogP1.10
Rot. Bonds2

About 2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide

2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide (PubChem CID 130892509) has the molecular formula C9H15ClN2O2 and a molecular weight of 218.68 g/mol. Its IUPAC name is 2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide
PubChem CID130892509
Molecular FormulaC9H15ClN2O2
Molecular Weight218.68 g/mol
Exact Mass218.08
IUPAC Name2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide
SMILESCC1CC(NC(=O)NC(=O)CCl)C1C
InChIInChI=1S/C9H15ClN2O2/c1-5-3-7(6(5)2)11-9(14)12-8(13)4-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyYFYWJWWFRKILPE-UHFFFAOYSA-N
XLogP1.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.68
LogP ≤ 51.10
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

2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide
CID 130892325
2-chloro-N-[(3,4-dimethylcyclohexyl)carbamoyl]acetamide
CID 64742950
1-(2,3-dimethylcyclobutyl)-3-propan-2-ylurea
CID 131113753
2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide
CID 143560606
1-amino-3-(2,3-dimethylcyclobutyl)urea
CID 127009267
4-[(2-methylcyclopropyl)carbamoylamino]-4-oxobutanoic acid
CID 62408428
3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
CID 63279383
2-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051
2-chloro-N-(cyclooctylcarbamoyl)acetamide
CID 43146080
2-chloro-N-[(2-methylcyclopropyl)carbamoyl]propanamide
CID 62410358
3-(2,3-dimethylcyclobutyl)-1-ethyl-1-methylurea
CID 130865499
1-[(1R,2R)-2-methylcyclopropyl]-3-propylurea
CID 130688362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide (CID 130892509) is 2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide is CC1CC(NC(=O)NC(=O)CCl)C1C.
What is the InChIKey of 2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide?
The InChIKey is YFYWJWWFRKILPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O2/c1-5-3-7(6(5)2)11-9(14)12-8(13)4-10/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide?
2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide has a molecular weight of 218.68 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide is sourced from PubChem (CID 130892509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).