4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide

C20H20F2N2O — CID 10043001

IUPAC4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCc1cccc(C2C=C(c3cc(F)ccc3F)CN2C(=O)N(C)C)c1
InChIInChI=1S/C20H20F2N2O/c1-13-5-4-6-14(9-13)19-10-15(12-24(19)20(25)23(2)3)17-11-16(21)7-8-18(17)22/h4-11,19H,12H2,1-3H3
InChIKeyDOCNCPWIHCHLME-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.40
Rot. Bonds2

About 4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide

4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide (PubChem CID 10043001) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide
PubChem CID10043001
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide
SMILESCc1cccc(C2C=C(c3cc(F)ccc3F)CN2C(=O)N(C)C)c1
InChIInChI=1S/C20H20F2N2O/c1-13-5-4-6-14(9-13)19-10-15(12-24(19)20(25)23(2)3)17-11-16(21)7-8-18(17)22/h4-11,19H,12H2,1-3H3
InChIKeyDOCNCPWIHCHLME-UHFFFAOYSA-N
XLogP4.40
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of 4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide (CID 10043001) is 4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide is Cc1cccc(C2C=C(c3cc(F)ccc3F)CN2C(=O)N(C)C)c1.
What is the InChIKey of 4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is DOCNCPWIHCHLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O/c1-13-5-4-6-14(9-13)19-10-15(12-24(19)20(25)23(2)3)17-11-16(21)7-8-18(17)22/h4-11,19H,12H2,1-3H3.
What are the key properties of 4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide?
4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-N,N-dimethyl-2-(3-methylphenyl)-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 10043001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).