N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride

C15H22Cl2N2O3 — CID 119747231

IUPACN-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCOCCOc1c(Cl)cccc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C15H21ClN2O3.ClH/c1-2-20-8-9-21-14-12(16)4-3-5-13(14)18-15(19)11-6-7-17-10-11;/h3-5,11,17H,2,6-10H2,1H3,(H,18,19);1H
InChIKeyZNFDHUVXUVJTCQ-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.73
Rot. Bonds7

About N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119747231) has the molecular formula C15H22Cl2N2O3 and a molecular weight of 349.26 g/mol. Its IUPAC name is N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119747231
Molecular FormulaC15H22Cl2N2O3
Molecular Weight349.26 g/mol
Exact Mass348.10
IUPAC NameN-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCOCCOc1c(Cl)cccc1NC(=O)C1CCNC1.Cl
InChIInChI=1S/C15H21ClN2O3.ClH/c1-2-20-8-9-21-14-12(16)4-3-5-13(14)18-15(19)11-6-7-17-10-11;/h3-5,11,17H,2,6-10H2,1H3,(H,18,19);1H
InChIKeyZNFDHUVXUVJTCQ-UHFFFAOYSA-N
XLogP2.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide
CID 124683819
2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975465
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 86863737
3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302410
(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302408
2-(4-aminophenyl)-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119747202
N-(5-chloro-2-ethoxyphenyl)pyrrolidine-3-carboxamide
CID 63005433
N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006819
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
4-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078222
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
CID 94915623

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride (CID 119747231) is N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride is CCOCCOc1c(Cl)cccc1NC(=O)C1CCNC1.Cl.
What is the InChIKey of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZNFDHUVXUVJTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3.ClH/c1-2-20-8-9-21-14-12(16)4-3-5-13(14)18-15(19)11-6-7-17-10-11;/h3-5,11,17H,2,6-10H2,1H3,(H,18,19);1H.
What are the key properties of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 349.26 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119747231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).