N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide

C14H15FN2O2 — CID 64780134

IUPACN-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H15FN2O2/c1-2-7-17-8-3-4-12(17)14(19)16-10-5-6-13(18)11(15)9-10/h3-6,8-9,18H,2,7H2,1H3,(H,16,19)
InChIKeyGCPCAWBKFLQPBP-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.00
Rot. Bonds4

About N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide

N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide (PubChem CID 64780134) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide
PubChem CID64780134
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C14H15FN2O2/c1-2-7-17-8-3-4-12(17)14(19)16-10-5-6-13(18)11(15)9-10/h3-6,8-9,18H,2,7H2,1H3,(H,16,19)
InChIKeyGCPCAWBKFLQPBP-UHFFFAOYSA-N
XLogP3.00
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 60825640
N-(4-bromophenyl)-1-propylpyrrole-2-carboxamide
CID 43639066
1-propyl-N-(3-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61128394
N-(5-bromo-4-fluoro-2-methylphenyl)-1-propylpyrrole-2-carboxamide
CID 107592544
N-(2-bromo-4-fluorophenyl)-1-propylpyrrole-2-carboxamide
CID 43639068
N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 65431810
5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639041
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1-ethylpyrrole-2-carboxamide
CID 65435488
N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 114332469
2-[2-[(3-bromo-4-fluorophenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 104780407
N-(3-fluoro-4-hydroxyphenyl)-2-methylsulfanylacetamide
CID 64780305
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide (CID 64780134) is N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is GCPCAWBKFLQPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-7-17-8-3-4-12(17)14(19)16-10-5-6-13(18)11(15)9-10/h3-6,8-9,18H,2,7H2,1H3,(H,16,19).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 64780134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).