methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate

C21H18N2O3 — CID 167795411

IUPACmethyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n1C
InChIInChI=1S/C21H18N2O3/c1-23-18(9-10-19(23)21(25)26-2)20(24)22-15-7-8-17-14(12-15)11-13-5-3-4-6-16(13)17/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyGHMRDGVFOWTFCU-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.64
Rot. Bonds3

About methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate

methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate (PubChem CID 167795411) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate
PubChem CID167795411
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Namemethyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n1C
InChIInChI=1S/C21H18N2O3/c1-23-18(9-10-19(23)21(25)26-2)20(24)22-15-7-8-17-14(12-15)11-13-5-3-4-6-16(13)17/h3-10,12H,11H2,1-2H3,(H,22,24)
InChIKeyGHMRDGVFOWTFCU-UHFFFAOYSA-N
XLogP3.64
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86912034
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CID 17102504
N-(9H-fluoren-2-ylcarbamothioyl)acetamide
CID 17099951
N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 24637018
N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-2-carboxamide
CID 75362684
5-acetyl-N-(9H-fluoren-2-yl)thiophene-2-carboxamide
CID 39996046
N-(9H-fluoren-2-yl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 60567215
[(2S)-1-(9H-fluoren-2-ylamino)-1-oxopropan-2-yl]azanium
CID 2220327
N-(9H-fluoren-2-yl)-3-methylfuran-2-carboxamide
CID 38708919
4-ethoxy-N-(9H-fluoren-2-yl)-3-methoxybenzamide
CID 26889772
ethyl 2-(9H-fluoren-2-ylamino)-2-oxoacetate
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N-(9H-fluoren-2-yl)-1-oxidopyridin-1-ium-4-carboxamide
CID 51154962

Frequently Asked Questions

What is the IUPAC name of methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate (CID 167795411) is methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n1C.
What is the InChIKey of methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate?
The InChIKey is GHMRDGVFOWTFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-23-18(9-10-19(23)21(25)26-2)20(24)22-15-7-8-17-14(12-15)11-13-5-3-4-6-16(13)17/h3-10,12H,11H2,1-2H3,(H,22,24).
What are the key properties of methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate?
methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(9H-fluoren-2-ylcarbamoyl)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 167795411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).