3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide

C14H16N2O — CID 110782670

IUPAC3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cc[nH]c2)cc1C
InChIInChI=1S/C14H16N2O/c1-10-3-4-13(7-11(10)2)14(17)16-9-12-5-6-15-8-12/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyFHSYGWUIHQLPOT-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.56
Rot. Bonds3

About 3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide

3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide (PubChem CID 110782670) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
PubChem CID110782670
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cc[nH]c2)cc1C
InChIInChI=1S/C14H16N2O/c1-10-3-4-13(7-11(10)2)14(17)16-9-12-5-6-15-8-12/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyFHSYGWUIHQLPOT-UHFFFAOYSA-N
XLogP2.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-methoxy-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114181973
6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
CID 106385210
3-amino-4-bromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106384894
4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385485
3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385065
3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110794149
3-(methylsulfanylmethyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182043
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182013
2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384825
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide
CID 106385274

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide (CID 110782670) is 3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2cc[nH]c2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
The InChIKey is FHSYGWUIHQLPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-3-4-13(7-11(10)2)14(17)16-9-12-5-6-15-8-12/h3-8,15H,9H2,1-2H3,(H,16,17).
What are the key properties of 3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide has a molecular weight of 228.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide is sourced from PubChem (CID 110782670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).