N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide

C13H14N2O — CID 47172440

IUPACN-methyl-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCNC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C13H14N2O/c1-14-13(16)10-11-4-6-12(7-5-11)15-8-2-3-9-15/h2-9H,10H2,1H3,(H,14,16)
InChIKeyUSPYSXGVILRXBA-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.77
Rot. Bonds3

About N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide

N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 47172440) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID47172440
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-methyl-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCNC(=O)Cc1ccc(-n2cccc2)cc1
InChIInChI=1S/C13H14N2O/c1-14-13(16)10-11-4-6-12(7-5-11)15-8-2-3-9-15/h2-9H,10H2,1H3,(H,14,16)
InChIKeyUSPYSXGVILRXBA-UHFFFAOYSA-N
XLogP1.77
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46407605
2-(4-pyrrol-1-ylphenyl)acetamide
CID 47168980
N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 3450934
N-(2-tert-butylsulfanylethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 86883971
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid
CID 108886748
N-(cyclohexylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43071662
N-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 35619356
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408847
4-[2-(methylamino)-2-oxoethyl]benzoic acid
CID 139022603
2-(dimethylamino)ethyl 2-(4-pyrrol-1-ylphenyl)acetate
CID 154093293

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide (CID 47172440) is N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide is CNC(=O)Cc1ccc(-n2cccc2)cc1.
What is the InChIKey of N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is USPYSXGVILRXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-14-13(16)10-11-4-6-12(7-5-11)15-8-2-3-9-15/h2-9H,10H2,1H3,(H,14,16).
What are the key properties of N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide?
N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 214.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 47172440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).