N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide

C14H16N2O — CID 112520079

IUPACN-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccccc2)c[nH]1
InChIInChI=1S/C14H16N2O/c1-11-7-13(10-15-11)8-14(17)16-9-12-5-3-2-4-6-12/h2-7,10,15H,8-9H2,1H3,(H,16,17)
InChIKeyZCMZIZFLKGNTML-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.18
Rot. Bonds4

About N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide

N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide (PubChem CID 112520079) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide
PubChem CID112520079
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCc2ccccc2)c[nH]1
InChIInChI=1S/C14H16N2O/c1-11-7-13(10-15-11)8-14(17)16-9-12-5-3-2-4-6-12/h2-7,10,15H,8-9H2,1H3,(H,16,17)
InChIKeyZCMZIZFLKGNTML-UHFFFAOYSA-N
XLogP2.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112528395
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522336
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522048
N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112529546
N-benzyl-2-(1H-indol-6-yl)acetamide
CID 54366810
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
2-[4-(benzylamino)phenyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 42852618
N-benzyl-2-[4-[(4-fluorophenyl)methylamino]phenyl]acetamide
CID 46045383
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112992570
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide (CID 112520079) is N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide is Cc1cc(CC(=O)NCc2ccccc2)c[nH]1.
What is the InChIKey of N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
The InChIKey is ZCMZIZFLKGNTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-7-13(10-15-11)8-14(17)16-9-12-5-3-2-4-6-12/h2-7,10,15H,8-9H2,1H3,(H,16,17).
What are the key properties of N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide?
N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide has a molecular weight of 228.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-methyl-1H-pyrrol-3-yl)acetamide is sourced from PubChem (CID 112520079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).