N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

C14H17Cl3F2N2O2 — CID 120955458

IUPACN-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCOCc1ccc(Cl)cc1Cl)C1CC(F)(F)CN1
InChIInChI=1S/C14H16Cl2F2N2O2.ClH/c15-10-2-1-9(11(16)5-10)7-22-4-3-19-13(21)12-6-14(17,18)8-20-12;/h1-2,5,12,20H,3-4,6-8H2,(H,19,21);1H
InChIKeyMIKBNMPWHXYOCD-UHFFFAOYSA-N
MW389.66 g/mol
LogP3.05
Rot. Bonds6

About N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120955458) has the molecular formula C14H17Cl3F2N2O2 and a molecular weight of 389.66 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID120955458
Molecular FormulaC14H17Cl3F2N2O2
Molecular Weight389.66 g/mol
Exact Mass388.03
IUPAC NameN-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCOCc1ccc(Cl)cc1Cl)C1CC(F)(F)CN1
InChIInChI=1S/C14H16Cl2F2N2O2.ClH/c15-10-2-1-9(11(16)5-10)7-22-4-3-19-13(21)12-6-14(17,18)8-20-12;/h1-2,5,12,20H,3-4,6-8H2,(H,19,21);1H
InChIKeyMIKBNMPWHXYOCD-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.66
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chloro-2-ethoxyphenyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955148
2-[2-[(2,4-dichlorophenyl)methoxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120551639
N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955436
4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120954724
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955326
4,4-difluoro-N-(2-pyrazin-2-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120955430
2-[(2,4-dichlorophenyl)methoxy]-N-ethylethanamine
CID 62336671
N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]methanesulfonamide
CID 75445405
N-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263497
2-(2,4-dichlorophenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699674
2-[(2,4-dichlorophenyl)methoxy]ethanamine
CID 14821323
N-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119263502

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (CID 120955458) is N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCCOCc1ccc(Cl)cc1Cl)C1CC(F)(F)CN1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is MIKBNMPWHXYOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F2N2O2.ClH/c15-10-2-1-9(11(16)5-10)7-22-4-3-19-13(21)12-6-14(17,18)8-20-12;/h1-2,5,12,20H,3-4,6-8H2,(H,19,21);1H.
What are the key properties of N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 389.66 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methoxy]ethyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120955458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).