N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide

C20H25ClF2N2O — CID 167119908

IUPACN-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide
SMILESCCCc1c(C(=O)NCc2ccc(Cl)cc2)c(CC)n(C(F)F)c1CC
InChIInChI=1S/C20H25ClF2N2O/c1-4-7-15-16(5-2)25(20(22)23)17(6-3)18(15)19(26)24-12-13-8-10-14(21)11-9-13/h8-11,20H,4-7,12H2,1-3H3,(H,24,26)
InChIKeyRQELHDVTTLYVML-UHFFFAOYSA-N
MW382.88 g/mol
LogP5.54
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide (PubChem CID 167119908) has the molecular formula C20H25ClF2N2O and a molecular weight of 382.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide
PubChem CID167119908
Molecular FormulaC20H25ClF2N2O
Molecular Weight382.88 g/mol
Exact Mass382.16
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide
SMILESCCCc1c(C(=O)NCc2ccc(Cl)cc2)c(CC)n(C(F)F)c1CC
InChIInChI=1S/C20H25ClF2N2O/c1-4-7-15-16(5-2)25(20(22)23)17(6-3)18(15)19(26)24-12-13-8-10-14(21)11-9-13/h8-11,20H,4-7,12H2,1-3H3,(H,24,26)
InChIKeyRQELHDVTTLYVML-UHFFFAOYSA-N
XLogP5.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.88
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide (CID 167119908) is N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide is CCCc1c(C(=O)NCc2ccc(Cl)cc2)c(CC)n(C(F)F)c1CC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide?
The InChIKey is RQELHDVTTLYVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClF2N2O/c1-4-7-15-16(5-2)25(20(22)23)17(6-3)18(15)19(26)24-12-13-8-10-14(21)11-9-13/h8-11,20H,4-7,12H2,1-3H3,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide has a molecular weight of 382.88 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(difluoromethyl)-2,5-diethyl-4-propylpyrrole-3-carboxamide is sourced from PubChem (CID 167119908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).