N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide

C16H23FN2O — CID 63715437

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CNCC1C)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-10(2)15(12-4-6-13(17)7-5-12)19-16(20)14-9-18-8-11(14)3/h4-7,10-11,14-15,18H,8-9H2,1-3H3,(H,19,20)
InChIKeyZLXVMFILYFAOBO-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.49
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide

N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 63715437) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID63715437
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC(C)C(NC(=O)C1CNCC1C)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O/c1-10(2)15(12-4-6-13(17)7-5-12)19-16(20)14-9-18-8-11(14)3/h4-7,10-11,14-15,18H,8-9H2,1-3H3,(H,19,20)
InChIKeyZLXVMFILYFAOBO-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81349399
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 78982142
N-[(1S)-1-(furan-2-yl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81400915
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 60848343
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63714822
N-[1-(4-cyanophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 63715441
N-[1-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 43703517
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]cyclopent-2-ene-1-carboxamide
CID 79211583
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
N-[1-(2-methoxyphenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228822
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide (CID 63715437) is N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide is CC(C)C(NC(=O)C1CNCC1C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is ZLXVMFILYFAOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-10(2)15(12-4-6-13(17)7-5-12)19-16(20)14-9-18-8-11(14)3/h4-7,10-11,14-15,18H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide?
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63715437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).