N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide

C18H11ClF4N2O — CID 22622779

IUPACN-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(Cl)c(F)c1)c1c[nH]cc1C(F)(F)F
InChIInChI=1S/C18H11ClF4N2O/c19-14-6-5-10(7-15(14)20)11-3-1-2-4-16(11)25-17(26)12-8-24-9-13(12)18(21,22)23/h1-9,24H,(H,25,26)
InChIKeyRKOMZJBCXOJSBO-UHFFFAOYSA-N
MW382.74 g/mol
LogP5.75
Rot. Bonds3

About N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide

N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide (PubChem CID 22622779) has the molecular formula C18H11ClF4N2O and a molecular weight of 382.74 g/mol. Its IUPAC name is N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide
PubChem CID22622779
Molecular FormulaC18H11ClF4N2O
Molecular Weight382.74 g/mol
Exact Mass382.05
IUPAC NameN-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccccc1-c1ccc(Cl)c(F)c1)c1c[nH]cc1C(F)(F)F
InChIInChI=1S/C18H11ClF4N2O/c19-14-6-5-10(7-15(14)20)11-3-1-2-4-16(11)25-17(26)12-8-24-9-13(12)18(21,22)23/h1-9,24H,(H,25,26)
InChIKeyRKOMZJBCXOJSBO-UHFFFAOYSA-N
XLogP5.75
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide (CID 22622779) is N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide is O=C(Nc1ccccc1-c1ccc(Cl)c(F)c1)c1c[nH]cc1C(F)(F)F.
What is the InChIKey of N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is RKOMZJBCXOJSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF4N2O/c19-14-6-5-10(7-15(14)20)11-3-1-2-4-16(11)25-17(26)12-8-24-9-13(12)18(21,22)23/h1-9,24H,(H,25,26).
What are the key properties of N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 382.74 g/mol, XLogP of 5.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3-fluorophenyl)phenyl]-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 22622779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).