2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide

C14H16N2O — CID 110472049

IUPAC2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1cccn1C
InChIInChI=1S/C14H16N2O/c1-11-6-3-4-8-13(11)14(17)15-10-12-7-5-9-16(12)2/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyIPHMPCNMMLKTDS-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.26
Rot. Bonds3

About 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide

2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide (PubChem CID 110472049) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
PubChem CID110472049
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1cccn1C
InChIInChI=1S/C14H16N2O/c1-11-6-3-4-8-13(11)14(17)15-10-12-7-5-9-16(12)2/h3-9H,10H2,1-2H3,(H,15,17)
InChIKeyIPHMPCNMMLKTDS-UHFFFAOYSA-N
XLogP2.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473301
2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 106416688
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-3-carboxamide
CID 103713461
N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106422181
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-7-carboxamide
CID 103713426
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474082
2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474283

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The IUPAC name of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide (CID 110472049) is 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide is Cc1ccccc1C(=O)NCc1cccn1C.
What is the InChIKey of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
The InChIKey is IPHMPCNMMLKTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-6-3-4-8-13(11)14(17)15-10-12-7-5-9-16(12)2/h3-9H,10H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide?
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide has a molecular weight of 228.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide is sourced from PubChem (CID 110472049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).