4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide

C10H15ClN2O2 — CID 106843318

IUPAC4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCCCCO
InChIInChI=1S/C10H15ClN2O2/c1-13-7-8(11)6-9(13)10(15)12-4-2-3-5-14/h6-7,14H,2-5H2,1H3,(H,12,15)
InChIKeyGHWHOEXBDROMOI-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.18
Rot. Bonds5

About 4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide

4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide (PubChem CID 106843318) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide
PubChem CID106843318
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCCCCO
InChIInChI=1S/C10H15ClN2O2/c1-13-7-8(11)6-9(13)10(15)12-4-2-3-5-14/h6-7,14H,2-5H2,1H3,(H,12,15)
InChIKeyGHWHOEXBDROMOI-UHFFFAOYSA-N
XLogP1.18
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-methylpyrrole-2-carboxamide
CID 113264624
4-chloro-1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide
CID 61066534
4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 62665276
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465535
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
CID 113294464
4-chloro-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 64545994
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 43500997
N-(2-amino-2-ethylbutyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 81484909
4-chloro-1-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrrole-2-carboxamide
CID 107487479
4-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106306233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide (CID 106843318) is 4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NCCCCO.
What is the InChIKey of 4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is GHWHOEXBDROMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-13-7-8(11)6-9(13)10(15)12-4-2-3-5-14/h6-7,14H,2-5H2,1H3,(H,12,15).
What are the key properties of 4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide?
4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 230.69 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 106843318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).