N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide

C11H8F2N2O — CID 110691221

IUPACN-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc[nH]c1
InChIInChI=1S/C11H8F2N2O/c12-9-2-1-8(5-10(9)13)15-11(16)7-3-4-14-6-7/h1-6,14H,(H,15,16)
InChIKeyRHHBLYLRFVBDOA-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.55
Rot. Bonds2

About N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide

N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 110691221) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID110691221
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC NameN-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc[nH]c1
InChIInChI=1S/C11H8F2N2O/c12-9-2-1-8(5-10(9)13)15-11(16)7-3-4-14-6-7/h1-6,14H,(H,15,16)
InChIKeyRHHBLYLRFVBDOA-UHFFFAOYSA-N
XLogP2.55
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(3,4-difluorophenyl)-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

Related Compounds

N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691150
N-[3-fluoro-4-[2-fluoro-4-(methylamino)anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 139398477
4-carbamothioyl-N-(3,4-difluorophenyl)benzamide
CID 24706077
N-(4-amino-3-methylphenyl)-1H-pyrrole-3-carboxamide
CID 141038982
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
N-[3-fluoro-4-[4-(1H-pyrrole-3-carbonylamino)anilino]phenyl]-1H-indole-5-carboxamide
CID 67113599
N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 110691166
1-N-(3,4-difluorophenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043255
N-(3,4-difluorophenyl)naphthalene-2-carboxamide
CID 7771728
4-[(3,4-difluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791546
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide (CID 110691221) is N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc[nH]c1.
What is the InChIKey of N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is RHHBLYLRFVBDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-9-2-1-8(5-10(9)13)15-11(16)7-3-4-14-6-7/h1-6,14H,(H,15,16).
What are the key properties of N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide?
N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 222.19 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 110691221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).