N,N-dimethyl-4-pyrrol-1-ylbenzamide

C13H14N2O — CID 60682223

IUPACN,N-dimethyl-4-pyrrol-1-ylbenzamide
SMILESCN(C)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C13H14N2O/c1-14(2)13(16)11-5-7-12(8-6-11)15-9-3-4-10-15/h3-10H,1-2H3
InChIKeyLHXLLLSARUODAQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.18
Rot. Bonds2

About N,N-dimethyl-4-pyrrol-1-ylbenzamide

N,N-dimethyl-4-pyrrol-1-ylbenzamide (PubChem CID 60682223) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N,N-dimethyl-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-pyrrol-1-ylbenzamide
PubChem CID60682223
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN,N-dimethyl-4-pyrrol-1-ylbenzamide
SMILESCN(C)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C13H14N2O/c1-14(2)13(16)11-5-7-12(8-6-11)15-9-3-4-10-15/h3-10H,1-2H3
InChIKeyLHXLLLSARUODAQ-UHFFFAOYSA-N
XLogP2.18
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-pyrrol-1-ylbenzamide
CID 60682055
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
CID 79291124
methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate
CID 61031076
2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide
CID 175911856
2-[propan-2-yl-(4-pyrrol-1-ylbenzoyl)amino]acetic acid
CID 60831722
4-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N,N-dimethylbenzamide
CID 168516849
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
CID 24545195
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
N-tert-butyl-4-pyrrol-1-ylbenzamide
CID 51261804
ethyl 4-pyrrol-1-ylbenzoate
CID 2736468
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
N,N-dimethyl-4-[4-(1-phenylpiperidin-4-yl)piperidin-1-yl]benzamide
CID 140931570

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-pyrrol-1-ylbenzamide?
The IUPAC name of N,N-dimethyl-4-pyrrol-1-ylbenzamide (CID 60682223) is N,N-dimethyl-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N,N-dimethyl-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N,N-dimethyl-4-pyrrol-1-ylbenzamide is CN(C)C(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-pyrrol-1-ylbenzamide?
The InChIKey is LHXLLLSARUODAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-14(2)13(16)11-5-7-12(8-6-11)15-9-3-4-10-15/h3-10H,1-2H3.
What are the key properties of N,N-dimethyl-4-pyrrol-1-ylbenzamide?
N,N-dimethyl-4-pyrrol-1-ylbenzamide has a molecular weight of 214.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 60682223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).