N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C20H25ClN2O3 — CID 131946611

IUPACN-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCN(CCCOc1ccccc1Cl)C(=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C20H25ClN2O3/c1-22(11-6-14-25-18-8-3-2-7-17(18)21)20(24)19-10-9-16(26-19)15-23-12-4-5-13-23/h2-3,7-10H,4-6,11-15H2,1H3
InChIKeyXVXNVXQUDIRXEO-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.07
Rot. Bonds8

About N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 131946611) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID131946611
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESCN(CCCOc1ccccc1Cl)C(=O)c1ccc(CN2CCCC2)o1
InChIInChI=1S/C20H25ClN2O3/c1-22(11-6-14-25-18-8-3-2-7-17(18)21)20(24)19-10-9-16(26-19)15-23-12-4-5-13-23/h2-3,7-10H,4-6,11-15H2,1H3
InChIKeyXVXNVXQUDIRXEO-UHFFFAOYSA-N
XLogP4.07
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide
CID 131889535
4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108762073
N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide
CID 131941696
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-5-[(2-chlorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 19460794
(2S)-2-(2-chlorophenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015153
5-[[4-(2-chlorophenoxy)butanoylamino]methyl]furan-2-carboxylic acid
CID 119245785
1-[5-(2-chlorophenoxy)pentyl]pyrrolidine
CID 2059007
N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415907
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide
CID 131894203
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-4-piperidin-1-ylsulfonylbenzamide
CID 24551180

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 131946611) is N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is CN(CCCOc1ccccc1Cl)C(=O)c1ccc(CN2CCCC2)o1.
What is the InChIKey of N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is XVXNVXQUDIRXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-22(11-6-14-25-18-8-3-2-7-17(18)21)20(24)19-10-9-16(26-19)15-23-12-4-5-13-23/h2-3,7-10H,4-6,11-15H2,1H3.
What are the key properties of N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 376.88 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 131946611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).