N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide

C14H18Cl2N2O — CID 63714822

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNCC1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c1-8-6-17-7-11(8)14(19)18-9(2)10-3-4-12(15)13(16)5-10/h3-5,8-9,11,17H,6-7H2,1-2H3,(H,18,19)
InChIKeyIBBIQAJAHKKRES-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.03
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide

N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 63714822) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID63714822
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CNCC1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c1-8-6-17-7-11(8)14(19)18-9(2)10-3-4-12(15)13(16)5-10/h3-5,8-9,11,17H,6-7H2,1-2H3,(H,18,19)
InChIKeyIBBIQAJAHKKRES-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81349399
2-[1-(3,4-dichlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978108
N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63715441
N-[1-(3-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55229579
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]cyclopropanecarboxamide
CID 31462274
N-[1-(3,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78981822
N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81400915
cis-(1S,2R)-2-methyl-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 51416074
cis-(1R,2S)-2-methyl-N-[(1R)-1-(4-propan-2-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 27450935
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide
CID 63715437

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide (CID 63714822) is N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide is CC(NC(=O)C1CNCC1C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is IBBIQAJAHKKRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-8-6-17-7-11(8)14(19)18-9(2)10-3-4-12(15)13(16)5-10/h3-5,8-9,11,17H,6-7H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide?
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 301.22 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63714822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).