N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide

C18H16N2O2 — CID 18138394

IUPACN-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2O)cc1-n1cccc1
InChIInChI=1S/C18H16N2O2/c1-13-8-9-14(12-16(13)20-10-4-5-11-20)18(22)19-15-6-2-3-7-17(15)21/h2-12,21H,1H3,(H,19,22)
InChIKeyLTPXZQZBQDFPOK-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.74
Rot. Bonds3

About N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide

N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide (PubChem CID 18138394) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
PubChem CID18138394
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2O)cc1-n1cccc1
InChIInChI=1S/C18H16N2O2/c1-13-8-9-14(12-16(13)20-10-4-5-11-20)18(22)19-15-6-2-3-7-17(15)21/h2-12,21H,1H3,(H,19,22)
InChIKeyLTPXZQZBQDFPOK-UHFFFAOYSA-N
XLogP3.74
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-fluorophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 30138754
N-(4-acetamidophenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590163
4-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-3-pyrrol-1-ylbenzamide
CID 46427634
4-methyl-3-pyrrol-1-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370773
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18277765
N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590326
4-methyl-3-pyrrol-1-ylbenzamide
CID 91674702
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
CID 18273813
3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18145864
ethyl N-[(4-methyl-3-pyrrol-1-ylbenzoyl)amino]carbamate
CID 43042123

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide (CID 18138394) is N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide is Cc1ccc(C(=O)Nc2ccccc2O)cc1-n1cccc1.
What is the InChIKey of N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
The InChIKey is LTPXZQZBQDFPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-8-9-14(12-16(13)20-10-4-5-11-20)18(22)19-15-6-2-3-7-17(15)21/h2-12,21H,1H3,(H,19,22).
What are the key properties of N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide?
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 18138394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).