(1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C12H20Cl2N2O — CID 98681847

IUPAC(1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)[C@@]1(C)CC1(Cl)Cl
InChIInChI=1S/C12H20Cl2N2O/c1-3-16-6-4-5-9(16)7-15-10(17)11(2)8-12(11,13)14/h9H,3-8H2,1-2H3,(H,15,17)/t9-,11+/m0/s1
InChIKeyDDQFQSPRARYEBE-GXSJLCMTSA-N
MW279.21 g/mol
LogP2.17
Rot. Bonds4

About (1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

(1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 98681847) has the molecular formula C12H20Cl2N2O and a molecular weight of 279.21 g/mol. Its IUPAC name is (1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID98681847
Molecular FormulaC12H20Cl2N2O
Molecular Weight279.21 g/mol
Exact Mass278.10
IUPAC Name(1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCCN1CCC[C@H]1CNC(=O)[C@@]1(C)CC1(Cl)Cl
InChIInChI=1S/C12H20Cl2N2O/c1-3-16-6-4-5-9(16)7-15-10(17)11(2)8-12(11,13)14/h9H,3-8H2,1-2H3,(H,15,17)/t9-,11+/m0/s1
InChIKeyDDQFQSPRARYEBE-GXSJLCMTSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63138600
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64548994
1-carbamothioyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80593111
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
CID 79797670
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145708
1-benzyl-3-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 103604163
1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433973
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 98681847) is (1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is CCN1CCC[C@H]1CNC(=O)[C@@]1(C)CC1(Cl)Cl.
What is the InChIKey of (1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is DDQFQSPRARYEBE-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H20Cl2N2O/c1-3-16-6-4-5-9(16)7-15-10(17)11(2)8-12(11,13)14/h9H,3-8H2,1-2H3,(H,15,17)/t9-,11+/m0/s1.
What are the key properties of (1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
(1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 279.21 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 98681847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).