2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide

C10H18ClN3O2 — CID 60856052

IUPAC2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide
SMILESCCN1CCC(CNC(=O)NC(=O)CCl)C1
InChIInChI=1S/C10H18ClN3O2/c1-2-14-4-3-8(7-14)6-12-10(16)13-9(15)5-11/h8H,2-7H2,1H3,(H2,12,13,15,16)
InChIKeyXRFQTUSMTMOCCR-UHFFFAOYSA-N
MW247.73 g/mol
LogP0.39
Rot. Bonds4

About 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide

2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide (PubChem CID 60856052) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide
PubChem CID60856052
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide
SMILESCCN1CCC(CNC(=O)NC(=O)CCl)C1
InChIInChI=1S/C10H18ClN3O2/c1-2-14-4-3-8(7-14)6-12-10(16)13-9(15)5-11/h8H,2-7H2,1H3,(H2,12,13,15,16)
InChIKeyXRFQTUSMTMOCCR-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
CID 62964488
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
3-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]-2,2-dimethylpropanamide
CID 63680576
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
2-chloro-N-[(4-methylcyclohexyl)methylcarbamoyl]acetamide
CID 63244328
3-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266531
2-[4-(aminomethyl)cyclohexyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide
CID 63613060
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methyltetrazol-5-yl)urea
CID 167973623
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]pentanedioic acid
CID 61205665
(2S)-2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 61205851
2-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide
CID 50989385
2-amino-2-ethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]butanamide
CID 79809539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide (CID 60856052) is 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide is CCN1CCC(CNC(=O)NC(=O)CCl)C1.
What is the InChIKey of 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide?
The InChIKey is XRFQTUSMTMOCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2/c1-2-14-4-3-8(7-14)6-12-10(16)13-9(15)5-11/h8H,2-7H2,1H3,(H2,12,13,15,16).
What are the key properties of 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide?
2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide has a molecular weight of 247.73 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]acetamide is sourced from PubChem (CID 60856052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).