N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide

C17H20Cl2N2O2 — CID 42762712

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cccn1Cc1ccccc1)C(=O)C(Cl)Cl
InChIInChI=1S/C17H20Cl2N2O2/c1-23-11-10-21(17(22)16(18)19)13-15-8-5-9-20(15)12-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3
InChIKeyOZCKIVFQTMGFKI-UHFFFAOYSA-N
MW355.27 g/mol
LogP3.32
Rot. Bonds8

About N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide

N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide (PubChem CID 42762712) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide
PubChem CID42762712
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1cccn1Cc1ccccc1)C(=O)C(Cl)Cl
InChIInChI=1S/C17H20Cl2N2O2/c1-23-11-10-21(17(22)16(18)19)13-15-8-5-9-20(15)12-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3
InChIKeyOZCKIVFQTMGFKI-UHFFFAOYSA-N
XLogP3.32
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 3269455
2-[acetyl(2-methylpropyl)amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 4306873
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3975085
N-[(1-benzylpyrrol-2-yl)methyl]-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-propan-2-ylacetamide
CID 3920695
2-[acetyl-[(2S)-butan-2-yl]amino]-N-[(1-benzylpyrrol-2-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 7226730
2-chloro-N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 3263865
(3R)-N-[(1-benzylpyrrol-2-yl)methyl]-N-(2-methoxyethyl)-3,5,5-trimethylhexanamide
CID 7414262
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-3-phenyl-N-propan-2-ylpropanamide
CID 42776826
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 3566548
methyl 5-[[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-(2-methoxyethyl)amino]-5-oxopentanoate
CID 3454447
3-(1-adamantyl)-1-[(1-benzylpyrrol-2-yl)methyl]-1-(2-methoxyethyl)urea
CID 3495765
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 5037197

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide (CID 42762712) is N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide is COCCN(Cc1cccn1Cc1ccccc1)C(=O)C(Cl)Cl.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide?
The InChIKey is OZCKIVFQTMGFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c1-23-11-10-21(17(22)16(18)19)13-15-8-5-9-20(15)12-14-6-3-2-4-7-14/h2-9,16H,10-13H2,1H3.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide?
N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide has a molecular weight of 355.27 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-2,2-dichloro-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 42762712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).