4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide

C19H18ClFN2O — CID 59656617

IUPAC4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2cc(F)ccc2Cl)=CC1c1ccccc1
InChIInChI=1S/C19H18ClFN2O/c1-22(2)19(24)23-12-14(16-11-15(21)8-9-17(16)20)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
InChIKeyXDDZMXIVHDBQOG-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.60
Rot. Bonds2

About 4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide

4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide (PubChem CID 59656617) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is 4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
PubChem CID59656617
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC Name4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2cc(F)ccc2Cl)=CC1c1ccccc1
InChIInChI=1S/C19H18ClFN2O/c1-22(2)19(24)23-12-14(16-11-15(21)8-9-17(16)20)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
InChIKeyXDDZMXIVHDBQOG-UHFFFAOYSA-N
XLogP4.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of 4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide (CID 59656617) is 4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for 4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for 4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide is CN(C)C(=O)N1CC(c2cc(F)ccc2Cl)=CC1c1ccccc1.
What is the InChIKey of 4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is XDDZMXIVHDBQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c1-22(2)19(24)23-12-14(16-11-15(21)8-9-17(16)20)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3.
What are the key properties of 4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide?
4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 344.82 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 59656617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).