4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide

C15H14N2O — CID 18156699

IUPAC4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
SMILESC#CCNC(=O)c1ccc(C)c(-n2cccc2)c1
InChIInChI=1S/C15H14N2O/c1-3-8-16-15(18)13-7-6-12(2)14(11-13)17-9-4-5-10-17/h1,4-7,9-11H,8H2,2H3,(H,16,18)
InChIKeyVYYZADIOQITGQT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide

4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide (PubChem CID 18156699) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
PubChem CID18156699
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
SMILESC#CCNC(=O)c1ccc(C)c(-n2cccc2)c1
InChIInChI=1S/C15H14N2O/c1-3-8-16-15(18)13-7-6-12(2)14(11-13)17-9-4-5-10-17/h1,4-7,9-11H,8H2,2H3,(H,16,18)
InChIKeyVYYZADIOQITGQT-UHFFFAOYSA-N
XLogP2.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18277765
N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590163
ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate
CID 43042123
4-methyl-3-pyrrol-1-ylbenzamide
CID 91674702
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18289079
4-bromo-3-methyl-N-prop-2-ynylbenzamide
CID 115769506
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597417
N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 30138754

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of 4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide (CID 18156699) is 4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for 4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for 4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide is C#CCNC(=O)c1ccc(C)c(-n2cccc2)c1.
What is the InChIKey of 4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide?
The InChIKey is VYYZADIOQITGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-3-8-16-15(18)13-7-6-12(2)14(11-13)17-9-4-5-10-17/h1,4-7,9-11H,8H2,2H3,(H,16,18).
What are the key properties of 4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide?
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide has a molecular weight of 238.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 18156699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).