4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide

C12H12FN3O — CID 43642302

IUPAC4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C12H12FN3O/c13-9-3-1-8(2-4-9)6-16-12(17)11-5-10(14)7-15-11/h1-5,7,15H,6,14H2,(H,16,17)
InChIKeyZPNJDSPAHJBQDC-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.67
Rot. Bonds3

About 4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide

4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 43642302) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID43642302
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C12H12FN3O/c13-9-3-1-8(2-4-9)6-16-12(17)11-5-10(14)7-15-11/h1-5,7,15H,6,14H2,(H,16,17)
InChIKeyZPNJDSPAHJBQDC-UHFFFAOYSA-N
XLogP1.67
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide (CID 43642302) is 4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is ZPNJDSPAHJBQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-9-3-1-8(2-4-9)6-16-12(17)11-5-10(14)7-15-11/h1-5,7,15H,6,14H2,(H,16,17).
What are the key properties of 4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).