[2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid

C19H20F2N2O2 — CID 121411512

IUPAC[2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid
SMILESCN1CCC(CN(C(=O)O)c2ccccc2-c2ccc(F)cc2F)C1
InChIInChI=1S/C19H20F2N2O2/c1-22-9-8-13(11-22)12-23(19(24)25)18-5-3-2-4-16(18)15-7-6-14(20)10-17(15)21/h2-7,10,13H,8-9,11-12H2,1H3,(H,24,25)
InChIKeyCFFPBUSMRKNOSW-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.07
Rot. Bonds4

About [2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid

[2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid (PubChem CID 121411512) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is [2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid.

Molecular Properties

Compound Name[2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid
PubChem CID121411512
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name[2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid
SMILESCN1CCC(CN(C(=O)O)c2ccccc2-c2ccc(F)cc2F)C1
InChIInChI=1S/C19H20F2N2O2/c1-22-9-8-13(11-22)12-23(19(24)25)18-5-3-2-4-16(18)15-7-6-14(20)10-17(15)21/h2-7,10,13H,8-9,11-12H2,1H3,(H,24,25)
InChIKeyCFFPBUSMRKNOSW-UHFFFAOYSA-N
XLogP4.07
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid?
The IUPAC name of [2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid (CID 121411512) is [2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid.
What is the SMILES notation for [2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid?
The canonical SMILES for [2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid is CN1CCC(CN(C(=O)O)c2ccccc2-c2ccc(F)cc2F)C1.
What is the InChIKey of [2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid?
The InChIKey is CFFPBUSMRKNOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-22-9-8-13(11-22)12-23(19(24)25)18-5-3-2-4-16(18)15-7-6-14(20)10-17(15)21/h2-7,10,13H,8-9,11-12H2,1H3,(H,24,25).
What are the key properties of [2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid?
[2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid has a molecular weight of 346.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-difluorophenyl)phenyl]-[(1-methylpyrrolidin-3-yl)methyl]carbamic acid is sourced from PubChem (CID 121411512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).