4-methyl-3-pyrrol-1-ylbenzamide

C12H12N2O — CID 91674702

IUPAC4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(N)=O)cc1-n1cccc1
InChIInChI=1S/C12H12N2O/c1-9-4-5-10(12(13)15)8-11(9)14-6-2-3-7-14/h2-8H,1H3,(H2,13,15)
InChIKeyPGZJPJJEHLHYFP-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.88
Rot. Bonds2

About 4-methyl-3-pyrrol-1-ylbenzamide

4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 91674702) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID91674702
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(N)=O)cc1-n1cccc1
InChIInChI=1S/C12H12N2O/c1-9-4-5-10(12(13)15)8-11(9)14-6-2-3-7-14/h2-8H,1H3,(H2,13,15)
InChIKeyPGZJPJJEHLHYFP-UHFFFAOYSA-N
XLogP1.88
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-pyrrolidin-1-ylbenzamide
CID 68604380
ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate
CID 43042123
N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590163
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370773
N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590326
N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18145864
N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16591996
4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
CID 18273813
4-methyl-3-phosphanylbenzamide
CID 142140528
N-(furan-2-ylmethyl)-N,4-dimethyl-3-pyrrol-1-ylbenzamide
CID 18135649

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of 4-methyl-3-pyrrol-1-ylbenzamide (CID 91674702) is 4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for 4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for 4-methyl-3-pyrrol-1-ylbenzamide is Cc1ccc(C(N)=O)cc1-n1cccc1.
What is the InChIKey of 4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is PGZJPJJEHLHYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-4-5-10(12(13)15)8-11(9)14-6-2-3-7-14/h2-8H,1H3,(H2,13,15).
What are the key properties of 4-methyl-3-pyrrol-1-ylbenzamide?
4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 200.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 91674702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).