4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide

C15H25ClN2O2 — CID 106115856

IUPAC4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(Cl)cn1CCC
InChIInChI=1S/C15H25ClN2O2/c1-3-5-12(6-8-19)10-17-15(20)14-9-13(16)11-18(14)7-4-2/h9,11-12,19H,3-8,10H2,1-2H3,(H,17,20)
InChIKeyYXPSTCBXAVRYNW-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.08
Rot. Bonds9

About 4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide

4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide (PubChem CID 106115856) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide
PubChem CID106115856
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cc(Cl)cn1CCC
InChIInChI=1S/C15H25ClN2O2/c1-3-5-12(6-8-19)10-17-15(20)14-9-13(16)11-18(14)7-4-2/h9,11-12,19H,3-8,10H2,1-2H3,(H,17,20)
InChIKeyYXPSTCBXAVRYNW-UHFFFAOYSA-N
XLogP3.08
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639804
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
2-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220024
4-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106306233
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-1-propylpyrrole-2-carboxamide
CID 61246951
3-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]pentanoic acid
CID 81066132
2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60832159
N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide
CID 104877038
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
2-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220669
4-chloro-N-hex-5-ynyl-1-propylpyrrole-2-carboxamide
CID 106209755

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide (CID 106115856) is 4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide is CCCC(CCO)CNC(=O)c1cc(Cl)cn1CCC.
What is the InChIKey of 4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is YXPSTCBXAVRYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O2/c1-3-5-12(6-8-19)10-17-15(20)14-9-13(16)11-18(14)7-4-2/h9,11-12,19H,3-8,10H2,1-2H3,(H,17,20).
What are the key properties of 4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide?
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 300.83 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106115856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).