2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide

C10H18ClN3O2 — CID 63275498

IUPAC2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide
SMILESCN1CCC(CN(C)C(=O)NC(=O)CCl)C1
InChIInChI=1S/C10H18ClN3O2/c1-13-4-3-8(6-13)7-14(2)10(16)12-9(15)5-11/h8H,3-7H2,1-2H3,(H,12,15,16)
InChIKeyQLTVLJOGHVJKBA-UHFFFAOYSA-N
MW247.73 g/mol
LogP0.34
Rot. Bonds3

About 2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide

2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide (PubChem CID 63275498) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide
PubChem CID63275498
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide
SMILESCN1CCC(CN(C)C(=O)NC(=O)CCl)C1
InChIInChI=1S/C10H18ClN3O2/c1-13-4-3-8(6-13)7-14(2)10(16)12-9(15)5-11/h8H,3-7H2,1-2H3,(H,12,15,16)
InChIKeyQLTVLJOGHVJKBA-UHFFFAOYSA-N
XLogP0.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 115613492
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
3-[(4-ethylcyclohexyl)methyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 75369748
N-methyl-2-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63274011
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
(2S)-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanedioic acid
CID 63274978
2-(cyclopropylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 63273590
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
(2S)-3-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]pentanoic acid
CID 63275109
1-methyl-1-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea
CID 124865822
(2R)-5-amino-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830868
1-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]-3-[(1R,2S)-2-propan-2-ylcyclohexyl]urea
CID 95977894

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide (CID 63275498) is 2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide is CN1CCC(CN(C)C(=O)NC(=O)CCl)C1.
What is the InChIKey of 2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide?
The InChIKey is QLTVLJOGHVJKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2/c1-13-4-3-8(6-13)7-14(2)10(16)12-9(15)5-11/h8H,3-7H2,1-2H3,(H,12,15,16).
What are the key properties of 2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide?
2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide has a molecular weight of 247.73 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]acetamide is sourced from PubChem (CID 63275498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).