N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide

C15H17F2N3O — CID 114383386

IUPACN-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C15H17F2N3O/c16-15(17,10-18)11-19-14(21)13-7-4-8-20(13)9-12-5-2-1-3-6-12/h1-8H,9-11,18H2,(H,19,21)
InChIKeyXQXMXSVQKQRTFJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.86
Rot. Bonds6

About N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide

N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide (PubChem CID 114383386) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide
PubChem CID114383386
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide
SMILESNCC(F)(F)CNC(=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C15H17F2N3O/c16-15(17,10-18)11-19-14(21)13-7-4-8-20(13)9-12-5-2-1-3-6-12/h1-8H,9-11,18H2,(H,19,21)
InChIKeyXQXMXSVQKQRTFJ-UHFFFAOYSA-N
XLogP1.86
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide (CID 114383386) is N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide is NCC(F)(F)CNC(=O)c1cccn1Cc1ccccc1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide?
The InChIKey is XQXMXSVQKQRTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c16-15(17,10-18)11-19-14(21)13-7-4-8-20(13)9-12-5-2-1-3-6-12/h1-8H,9-11,18H2,(H,19,21).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide?
N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide has a molecular weight of 293.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-1-benzylpyrrole-2-carboxamide is sourced from PubChem (CID 114383386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).