N-(2-chloropropanoyl)azetidine-1-carboxamide

C7H11ClN2O2 — CID 126980646

IUPACN-(2-chloropropanoyl)azetidine-1-carboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCC1
InChIInChI=1S/C7H11ClN2O2/c1-5(8)6(11)9-7(12)10-3-2-4-10/h5H,2-4H2,1H3,(H,9,11,12)
InChIKeyPRYKIURUZFRXBF-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.56
Rot. Bonds1

About N-(2-chloropropanoyl)azetidine-1-carboxamide

N-(2-chloropropanoyl)azetidine-1-carboxamide (PubChem CID 126980646) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is N-(2-chloropropanoyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropanoyl)azetidine-1-carboxamide
PubChem CID126980646
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC NameN-(2-chloropropanoyl)azetidine-1-carboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCC1
InChIInChI=1S/C7H11ClN2O2/c1-5(8)6(11)9-7(12)10-3-2-4-10/h5H,2-4H2,1H3,(H,9,11,12)
InChIKeyPRYKIURUZFRXBF-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloropropanoyl)piperidine-1-carboxamide
CID 43146338
N-(2-methylpropanoyl)pyrrolidine-1-carboxamide
CID 91389730
4-butan-2-yl-N-(2-chloropropanoyl)piperazine-1-carboxamide
CID 62778045
N-[(2S)-2-aminopropanoyl]pyrrolidine-1-carboxamide
CID 21080226
ethyl 1-(2-chloropropanoylcarbamoyl)piperidine-4-carboxylate
CID 43328968
N-(2-chloropropanoyl)-2,2-dimethylmorpholine-4-carboxamide
CID 43593160
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-2-carboxylate
CID 113330591
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
1-(azetidin-1-yl)ethanone
CID 14061673
2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide
CID 114505682

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropanoyl)azetidine-1-carboxamide?
The IUPAC name of N-(2-chloropropanoyl)azetidine-1-carboxamide (CID 126980646) is N-(2-chloropropanoyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(2-chloropropanoyl)azetidine-1-carboxamide?
The canonical SMILES for N-(2-chloropropanoyl)azetidine-1-carboxamide is CC(Cl)C(=O)NC(=O)N1CCC1.
What is the InChIKey of N-(2-chloropropanoyl)azetidine-1-carboxamide?
The InChIKey is PRYKIURUZFRXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2/c1-5(8)6(11)9-7(12)10-3-2-4-10/h5H,2-4H2,1H3,(H,9,11,12).
What are the key properties of N-(2-chloropropanoyl)azetidine-1-carboxamide?
N-(2-chloropropanoyl)azetidine-1-carboxamide has a molecular weight of 190.63 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropanoyl)azetidine-1-carboxamide is sourced from PubChem (CID 126980646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).