N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide

C20H14ClF5N2O — CID 91453109

IUPACN-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide
SMILESCn1cc(C(=O)Nc2cc(Cl)ccc2-c2ccccc2)c(C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C20H14ClF5N2O/c1-28-10-15(16(11-28)19(22,23)20(24,25)26)18(29)27-17-9-13(21)7-8-14(17)12-5-3-2-4-6-12/h2-11H,1H3,(H,27,29)
InChIKeyLDWYSUNYUSBRFW-UHFFFAOYSA-N
MW428.79 g/mol
LogP6.25
Rot. Bonds4

About N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide

N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide (PubChem CID 91453109) has the molecular formula C20H14ClF5N2O and a molecular weight of 428.79 g/mol. Its IUPAC name is N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide
PubChem CID91453109
Molecular FormulaC20H14ClF5N2O
Molecular Weight428.79 g/mol
Exact Mass428.07
IUPAC NameN-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide
SMILESCn1cc(C(=O)Nc2cc(Cl)ccc2-c2ccccc2)c(C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C20H14ClF5N2O/c1-28-10-15(16(11-28)19(22,23)20(24,25)26)18(29)27-17-9-13(21)7-8-14(17)12-5-3-2-4-6-12/h2-11H,1H3,(H,27,29)
InChIKeyLDWYSUNYUSBRFW-UHFFFAOYSA-N
XLogP6.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.79
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106
N-[2-(3-chlorophenyl)phenyl]-1,4-dimethylpyrrole-3-carboxamide
CID 91533678
N-(5-chloro-2-methylphenyl)-2-phenylbenzamide
CID 976295
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 138998439
(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone
CID 101047208
5-chloro-N-ethyl-2-phenylaniline
CID 156564170
5-chloro-2-nitro-N-(2-phenylphenyl)benzamide
CID 8005539
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[2-(5-chloro-2-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 68915098
N-(2,3-dichloro-4-fluoro-6-phenylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 123339665
4-(difluoromethyl)-N-[2-(3-fluorophenyl)phenyl]-1-methylpyrrole-3-carboxamide
CID 91542727
4-chloro-2-phenylbenzoic acid
CID 11424784

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide (CID 91453109) is N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide is Cn1cc(C(=O)Nc2cc(Cl)ccc2-c2ccccc2)c(C(F)(F)C(F)(F)F)c1.
What is the InChIKey of N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide?
The InChIKey is LDWYSUNYUSBRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF5N2O/c1-28-10-15(16(11-28)19(22,23)20(24,25)26)18(29)27-17-9-13(21)7-8-14(17)12-5-3-2-4-6-12/h2-11H,1H3,(H,27,29).
What are the key properties of N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide?
N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide has a molecular weight of 428.79 g/mol, XLogP of 6.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenylphenyl)-1-methyl-4-(1,1,2,2,2-pentafluoroethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 91453109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).