4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide

C14H12F2N2O2 — CID 1473261

IUPAC4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(C(=O)c2ccc(F)cc2F)c[nH]1
InChIInChI=1S/C14H12F2N2O2/c1-18(2)14(20)12-5-8(7-17-12)13(19)10-4-3-9(15)6-11(10)16/h3-7,17H,1-2H3
InChIKeyRNPKOXRDLOLTDG-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.23
Rot. Bonds3

About 4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide

4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 1473261) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID1473261
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(C(=O)c2ccc(F)cc2F)c[nH]1
InChIInChI=1S/C14H12F2N2O2/c1-18(2)14(20)12-5-8(7-17-12)13(19)10-4-3-9(15)6-11(10)16/h3-7,17H,1-2H3
InChIKeyRNPKOXRDLOLTDG-UHFFFAOYSA-N
XLogP2.23
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide (CID 1473261) is 4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide is CN(C)C(=O)c1cc(C(=O)c2ccc(F)cc2F)c[nH]1.
What is the InChIKey of 4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is RNPKOXRDLOLTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-18(2)14(20)12-5-8(7-17-12)13(19)10-4-3-9(15)6-11(10)16/h3-7,17H,1-2H3.
What are the key properties of 4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 278.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1473261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).