N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide

C14H11F2N3O3 — CID 127264724

IUPACN-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CC1c1ccc(F)cc1F)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C14H11F2N3O3/c15-7-1-2-9(11(16)3-7)10-5-12(10)18-14(20)13-4-8(6-17-13)19(21)22/h1-4,6,10,12,17H,5H2,(H,18,20)
InChIKeyJTBMFBQVBCKKOS-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.49
Rot. Bonds4

About N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide

N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide (PubChem CID 127264724) has the molecular formula C14H11F2N3O3 and a molecular weight of 307.26 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide
PubChem CID127264724
Molecular FormulaC14H11F2N3O3
Molecular Weight307.26 g/mol
Exact Mass307.08
IUPAC NameN-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CC1c1ccc(F)cc1F)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C14H11F2N3O3/c15-7-1-2-9(11(16)3-7)10-5-12(10)18-14(20)13-4-8(6-17-13)19(21)22/h1-4,6,10,12,17H,5H2,(H,18,20)
InChIKeyJTBMFBQVBCKKOS-UHFFFAOYSA-N
XLogP2.49
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-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

4-acetyl-N-[2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
CID 126813051
4-acetyl-N-[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]-1H-pyrrole-2-carboxamide
CID 166247059
N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 63251739
4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 79689166
N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 64786494
5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide
CID 126806763
N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 120598419
N-[2-(2,4-difluorophenyl)cyclopropyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 127264725
1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]-3-[(2R)-5-hydroxypentan-2-yl]urea
CID 97054888
methyl 2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]acetate
CID 43408669
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide
CID 75494677
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 97011678

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide (CID 127264724) is N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide is O=C(NC1CC1c1ccc(F)cc1F)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is JTBMFBQVBCKKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3/c15-7-1-2-9(11(16)3-7)10-5-12(10)18-14(20)13-4-8(6-17-13)19(21)22/h1-4,6,10,12,17H,5H2,(H,18,20).
What are the key properties of N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide?
N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 307.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 127264724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).