3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide

C16H20F2N2O — CID 123710256

IUPAC3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide
SMILESNC(=O)C1CC(F)(c2ccc(CN3CCCC3)c(F)c2)C1
InChIInChI=1S/C16H20F2N2O/c17-14-7-13(16(18)8-12(9-16)15(19)21)4-3-11(14)10-20-5-1-2-6-20/h3-4,7,12H,1-2,5-6,8-10H2,(H2,19,21)
InChIKeyWWPWMVWYEQNZLW-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.48
Rot. Bonds4

About 3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide

3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide (PubChem CID 123710256) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide
PubChem CID123710256
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide
SMILESNC(=O)C1CC(F)(c2ccc(CN3CCCC3)c(F)c2)C1
InChIInChI=1S/C16H20F2N2O/c17-14-7-13(16(18)8-12(9-16)15(19)21)4-3-11(14)10-20-5-1-2-6-20/h3-4,7,12H,1-2,5-6,8-10H2,(H2,19,21)
InChIKeyWWPWMVWYEQNZLW-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxylic acid
CID 141170402
1-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117444331
2-[1-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclopropyl]acetic acid
CID 117444334
1-[[2-fluoro-4-(1-isocyanatocyclobutyl)phenyl]methyl]piperidine
CID 117465961
3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 24694417
3-fluoro-4-(pyrrolidin-1-ylmethyl)benzenethiol
CID 91656590
3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobut-2-ene-1-carboxylic acid
CID 142779564
5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-2H-triazole-4-carboxamide
CID 169402586
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
CID 102985021
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidine-3-carboxamide
CID 63288757
1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697391

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide (CID 123710256) is 3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide is NC(=O)C1CC(F)(c2ccc(CN3CCCC3)c(F)c2)C1.
What is the InChIKey of 3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is WWPWMVWYEQNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c17-14-7-13(16(18)8-12(9-16)15(19)21)4-3-11(14)10-20-5-1-2-6-20/h3-4,7,12H,1-2,5-6,8-10H2,(H2,19,21).
What are the key properties of 3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide?
3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 123710256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).