N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide

C11H14F2N2O — CID 126770004

IUPACN-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
SMILESCc1cc[nH]c1C(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C11H14F2N2O/c1-7-2-3-14-9(7)10(16)15-6-8-4-11(12,13)5-8/h2-3,8,14H,4-6H2,1H3,(H,15,16)
InChIKeyAITOGWHRASTECI-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.10
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide

N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide (PubChem CID 126770004) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
PubChem CID126770004
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide
SMILESCc1cc[nH]c1C(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C11H14F2N2O/c1-7-2-3-14-9(7)10(16)15-6-8-4-11(12,13)5-8/h2-3,8,14H,4-6H2,1H3,(H,15,16)
InChIKeyAITOGWHRASTECI-UHFFFAOYSA-N
XLogP2.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide (CID 126770004) is N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide is Cc1cc[nH]c1C(=O)NCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is AITOGWHRASTECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7-2-3-14-9(7)10(16)15-6-8-4-11(12,13)5-8/h2-3,8,14H,4-6H2,1H3,(H,15,16).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide?
N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 228.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-3-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126770004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).