N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide

C16H11ClFN3O — CID 56535981

IUPACN-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1ccnc(F)c1
InChIInChI=1S/C16H11ClFN3O/c17-12-3-4-13(14(10-12)21-7-1-2-8-21)20-16(22)11-5-6-19-15(18)9-11/h1-10H,(H,20,22)
InChIKeyDWTTXQVBLCRITR-UHFFFAOYSA-N
MW315.74 g/mol
LogP3.92
Rot. Bonds3

About N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide

N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide (PubChem CID 56535981) has the molecular formula C16H11ClFN3O and a molecular weight of 315.74 g/mol. Its IUPAC name is N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide
PubChem CID56535981
Molecular FormulaC16H11ClFN3O
Molecular Weight315.74 g/mol
Exact Mass315.06
IUPAC NameN-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)c1ccnc(F)c1
InChIInChI=1S/C16H11ClFN3O/c17-12-3-4-13(14(10-12)21-7-1-2-8-21)20-16(22)11-5-6-19-15(18)9-11/h1-10H,(H,20,22)
InChIKeyDWTTXQVBLCRITR-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-2-carboxamide
CID 56530341
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-cyanobenzamide
CID 56530671
N-[5-chloro-2-(dimethylamino)phenyl]-2-fluoropyridine-4-carboxamide
CID 60565434
2-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61294563
5-bromo-2-chloro-N-(4-chloro-2-pyrrol-1-ylphenyl)pyridine-3-carboxamide
CID 56582460
2-fluoro-N-pyrrol-1-ylpyridine-4-carboxamide
CID 79100177
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 56530350
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 114325635
N-(2-chloro-4-cyanophenyl)-2-fluoropyridine-4-carboxamide
CID 103799816
N-(3,4-difluorophenyl)-2-fluoropyridine-4-carboxamide
CID 61295443
(E)-N-(4-chloro-2-pyrrol-1-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 56583216
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 56530330

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide (CID 56535981) is N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide is O=C(Nc1ccc(Cl)cc1-n1cccc1)c1ccnc(F)c1.
What is the InChIKey of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is DWTTXQVBLCRITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O/c17-12-3-4-13(14(10-12)21-7-1-2-8-21)20-16(22)11-5-6-19-15(18)9-11/h1-10H,(H,20,22).
What are the key properties of N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide?
N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide has a molecular weight of 315.74 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyrrol-1-ylphenyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 56535981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).