(5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide

C18H16ClFN2O — CID 58641344

IUPAC(5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide
SMILESC[C@@]1(c2ccccc2)C=C(c2cc(Cl)ccc2F)CN1C(N)=O
InChIInChI=1S/C18H16ClFN2O/c1-18(13-5-3-2-4-6-13)10-12(11-22(18)17(21)23)15-9-14(19)7-8-16(15)20/h2-10H,11H2,1H3,(H2,21,23)/t18-/m0/s1
InChIKeyUFXQCVDUHMFMCN-SFHVURJKSA-N
MW330.79 g/mol
LogP4.17
Rot. Bonds2

About (5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide

(5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide (PubChem CID 58641344) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is (5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound Name(5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide
PubChem CID58641344
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name(5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide
SMILESC[C@@]1(c2ccccc2)C=C(c2cc(Cl)ccc2F)CN1C(N)=O
InChIInChI=1S/C18H16ClFN2O/c1-18(13-5-3-2-4-6-13)10-12(11-22(18)17(21)23)15-9-14(19)7-8-16(15)20/h2-10H,11H2,1H3,(H2,21,23)/t18-/m0/s1
InChIKeyUFXQCVDUHMFMCN-SFHVURJKSA-N
XLogP4.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide?
The IUPAC name of (5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide (CID 58641344) is (5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide.
What is the SMILES notation for (5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide?
The canonical SMILES for (5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide is C[C@@]1(c2ccccc2)C=C(c2cc(Cl)ccc2F)CN1C(N)=O.
What is the InChIKey of (5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide?
The InChIKey is UFXQCVDUHMFMCN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c1-18(13-5-3-2-4-6-13)10-12(11-22(18)17(21)23)15-9-14(19)7-8-16(15)20/h2-10H,11H2,1H3,(H2,21,23)/t18-/m0/s1.
What are the key properties of (5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide?
(5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide has a molecular weight of 330.79 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(5-chloro-2-fluorophenyl)-5-methyl-5-phenyl-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 58641344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).