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

C15H16N2O2 — CID 1473194

IUPACN,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(C(=O)Cc2ccccc2)c[nH]1
InChIInChI=1S/C15H16N2O2/c1-17(2)15(19)13-9-12(10-16-13)14(18)8-11-6-4-3-5-7-11/h3-7,9-10,16H,8H2,1-2H3
InChIKeyVQYDCOAQBHNBAP-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.14
Rot. Bonds4

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

N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide (PubChem CID 1473194) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
PubChem CID1473194
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(C(=O)Cc2ccccc2)c[nH]1
InChIInChI=1S/C15H16N2O2/c1-17(2)15(19)13-9-12(10-16-13)14(18)8-11-6-4-3-5-7-11/h3-7,9-10,16H,8H2,1-2H3
InChIKeyVQYDCOAQBHNBAP-UHFFFAOYSA-N
XLogP2.14
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide (CID 1473194) is N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide is CN(C)C(=O)c1cc(C(=O)Cc2ccccc2)c[nH]1.
What is the InChIKey of N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide?
The InChIKey is VQYDCOAQBHNBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(2)15(19)13-9-12(10-16-13)14(18)8-11-6-4-3-5-7-11/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide?
N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1473194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).