2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide

C14H16N2O — CID 114182013

IUPAC2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2cc[nH]c2)c1C
InChIInChI=1S/C14H16N2O/c1-10-4-3-5-13(11(10)2)14(17)16-9-12-6-7-15-8-12/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyPZKWKCXEQHCFNQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.56
Rot. Bonds3

About 2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide

2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide (PubChem CID 114182013) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
PubChem CID114182013
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCc1cccc(C(=O)NCc2cc[nH]c2)c1C
InChIInChI=1S/C14H16N2O/c1-10-4-3-5-13(11(10)2)14(17)16-9-12-6-7-15-8-12/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyPZKWKCXEQHCFNQ-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

4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385485
3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782670
ethane;N,2,3-trimethylbenzamide
CID 178108869
2,3-dimethylbenzohydrazide
CID 16790549
N-benzyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633090
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769107
2,4-dibromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385030
3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110794149
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
4-[4-[[(2,3-dimethylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119246992

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
The IUPAC name of 2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide (CID 114182013) is 2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide.
What is the SMILES notation for 2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
The canonical SMILES for 2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide is Cc1cccc(C(=O)NCc2cc[nH]c2)c1C.
What is the InChIKey of 2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
The InChIKey is PZKWKCXEQHCFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-4-3-5-13(11(10)2)14(17)16-9-12-6-7-15-8-12/h3-8,15H,9H2,1-2H3,(H,16,17).
What are the key properties of 2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide?
2,3-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 2,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide is sourced from PubChem (CID 114182013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).