N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide

C8H11FN2O — CID 126995460

IUPACN-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide
SMILESCC(CF)NC(=O)c1cc[nH]c1
InChIInChI=1S/C8H11FN2O/c1-6(4-9)11-8(12)7-2-3-10-5-7/h2-3,5-6,10H,4H2,1H3,(H,11,12)
InChIKeySGYRGHWAAGYDHD-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.10
Rot. Bonds3

About N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide

N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide (PubChem CID 126995460) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide
PubChem CID126995460
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC NameN-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide
SMILESCC(CF)NC(=O)c1cc[nH]c1
InChIInChI=1S/C8H11FN2O/c1-6(4-9)11-8(12)7-2-3-10-5-7/h2-3,5-6,10H,4H2,1H3,(H,11,12)
InChIKeySGYRGHWAAGYDHD-UHFFFAOYSA-N
XLogP1.10
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide (CID 126995460) is N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide is CC(CF)NC(=O)c1cc[nH]c1.
What is the InChIKey of N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is SGYRGHWAAGYDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-6(4-9)11-8(12)7-2-3-10-5-7/h2-3,5-6,10H,4H2,1H3,(H,11,12).
What are the key properties of N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide?
N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 170.19 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 126995460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).