3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide

C11H14F2N2O — CID 126778492

IUPAC3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCn1ccc(CNC(=O)C2CC(F)(F)C2)c1
InChIInChI=1S/C11H14F2N2O/c1-15-3-2-8(7-15)6-14-10(16)9-4-11(12,13)5-9/h2-3,7,9H,4-6H2,1H3,(H,14,16)
InChIKeyHCZKDOOUJFOBNH-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.69
Rot. Bonds3

About 3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide

3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 126778492) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide
PubChem CID126778492
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide
SMILESCn1ccc(CNC(=O)C2CC(F)(F)C2)c1
InChIInChI=1S/C11H14F2N2O/c1-15-3-2-8(7-15)6-14-10(16)9-4-11(12,13)5-9/h2-3,7,9H,4-6H2,1H3,(H,14,16)
InChIKeyHCZKDOOUJFOBNH-UHFFFAOYSA-N
XLogP1.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 82494322
(3R)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-3-carboxamide
CID 96672355
2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106390529
(3R)-N-[(1-methylpyrrol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106390750
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878
(3S)-N-[(1-methylpyrrol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106390769
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 102953575
cis-(1R,2S)-4-ethyl-2-[(1-methylpyrrol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106390546
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673
2-hydroxy-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 106509800
N-[(1-methylpyrrol-3-yl)methyl]prop-2-enamide
CID 106390668
1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 103839161

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide (CID 126778492) is 3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide is Cn1ccc(CNC(=O)C2CC(F)(F)C2)c1.
What is the InChIKey of 3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is HCZKDOOUJFOBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-15-3-2-8(7-15)6-14-10(16)9-4-11(12,13)5-9/h2-3,7,9H,4-6H2,1H3,(H,14,16).
What are the key properties of 3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide?
3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 228.24 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(1-methylpyrrol-3-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 126778492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).