4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide

C15H17FN2O2 — CID 111462962

IUPAC4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide
SMILESCC(O)CCNC(=O)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2/c1-10(19)6-7-18-15(20)14-9-17-8-13(14)11-2-4-12(16)5-3-11/h2-5,8-10,17,19H,6-7H2,1H3,(H,18,20)
InChIKeyUXWOOWVRPZXBJG-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.32
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide

4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide (PubChem CID 111462962) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide
PubChem CID111462962
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide
SMILESCC(O)CCNC(=O)c1c[nH]cc1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2/c1-10(19)6-7-18-15(20)14-9-17-8-13(14)11-2-4-12(16)5-3-11/h2-5,8-10,17,19H,6-7H2,1H3,(H,18,20)
InChIKeyUXWOOWVRPZXBJG-UHFFFAOYSA-N
XLogP2.32
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-N-(2-hydroxy-2,5-dimethylhexyl)-1H-pyrrole-3-carboxamide
CID 111485358
4-(4-fluorophenyl)-N-[3-(2-hydroxyethoxy)propyl]-1H-pyrrole-3-carboxamide
CID 75451638
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
2,3-difluoro-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 105381305
N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
CID 119660333
N-[(4-aminooxan-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 155953933
N-[(1S)-3-amino-3-oxo-1-phenylpropyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 155947647
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
4-(4-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrrole-3-carboxamide
CID 71929536
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 71998677
N-(2-amino-1-cyclopropylethyl)-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 119616534

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide (CID 111462962) is 4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide is CC(O)CCNC(=O)c1c[nH]cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide?
The InChIKey is UXWOOWVRPZXBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-10(19)6-7-18-15(20)14-9-17-8-13(14)11-2-4-12(16)5-3-11/h2-5,8-10,17,19H,6-7H2,1H3,(H,18,20).
What are the key properties of 4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide?
4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-hydroxybutyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 111462962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).