N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide

C10H14F2N2O — CID 129348640

IUPACN-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccn(C)c1)C(C)(F)F
InChIInChI=1S/C10H14F2N2O/c1-7(10(2,11)12)13-9(15)8-4-5-14(3)6-8/h4-7H,1-3H3,(H,13,15)/t7-/m1/s1
InChIKeyOHWXFIOSWCYBEK-SSDOTTSWSA-N
MW216.23 g/mol
LogP1.80
Rot. Bonds3

About N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide

N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide (PubChem CID 129348640) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide
PubChem CID129348640
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC NameN-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccn(C)c1)C(C)(F)F
InChIInChI=1S/C10H14F2N2O/c1-7(10(2,11)12)13-9(15)8-4-5-14(3)6-8/h4-7H,1-3H3,(H,13,15)/t7-/m1/s1
InChIKeyOHWXFIOSWCYBEK-SSDOTTSWSA-N
XLogP1.80
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide (CID 129348640) is N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide is C[C@@H](NC(=O)c1ccn(C)c1)C(C)(F)F.
What is the InChIKey of N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide?
The InChIKey is OHWXFIOSWCYBEK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-7(10(2,11)12)13-9(15)8-4-5-14(3)6-8/h4-7H,1-3H3,(H,13,15)/t7-/m1/s1.
What are the key properties of N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide?
N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide has a molecular weight of 216.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 129348640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).