5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide

C12H11F2N3O — CID 145464613

IUPAC5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide
SMILESCNc1[nH]c(-c2cc(F)cc(F)c2)cc1C(N)=O
InChIInChI=1S/C12H11F2N3O/c1-16-12-9(11(15)18)5-10(17-12)6-2-7(13)4-8(14)3-6/h2-5,16-17H,1H3,(H2,15,18)
InChIKeyVOYVVDKXPNAPOX-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.10
Rot. Bonds3

About 5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide

5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide (PubChem CID 145464613) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide
PubChem CID145464613
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide
SMILESCNc1[nH]c(-c2cc(F)cc(F)c2)cc1C(N)=O
InChIInChI=1S/C12H11F2N3O/c1-16-12-9(11(15)18)5-10(17-12)6-2-7(13)4-8(14)3-6/h2-5,16-17H,1H3,(H2,15,18)
InChIKeyVOYVVDKXPNAPOX-UHFFFAOYSA-N
XLogP2.10
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide (CID 145464613) is 5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide is CNc1[nH]c(-c2cc(F)cc(F)c2)cc1C(N)=O.
What is the InChIKey of 5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide?
The InChIKey is VOYVVDKXPNAPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-16-12-9(11(15)18)5-10(17-12)6-2-7(13)4-8(14)3-6/h2-5,16-17H,1H3,(H2,15,18).
What are the key properties of 5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide?
5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-2-(methylamino)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 145464613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).