4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide

C14H23ClN2O3 — CID 106250582

IUPAC4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NCC(C)(O)CCOC
InChIInChI=1S/C14H23ClN2O3/c1-4-6-17-9-11(15)8-12(17)13(18)16-10-14(2,19)5-7-20-3/h8-9,19H,4-7,10H2,1-3H3,(H,16,18)
InChIKeyODFIFPDICUHEJS-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.07
Rot. Bonds8

About 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide

4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide (PubChem CID 106250582) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide
PubChem CID106250582
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Name4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NCC(C)(O)CCOC
InChIInChI=1S/C14H23ClN2O3/c1-4-6-17-9-11(15)8-12(17)13(18)16-10-14(2,19)5-7-20-3/h8-9,19H,4-7,10H2,1-3H3,(H,16,18)
InChIKeyODFIFPDICUHEJS-UHFFFAOYSA-N
XLogP2.07
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxy-2-methylpentyl)-1-propylpyrrole-2-carboxamide
CID 106289281
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-ethylpyrrole-2-carboxamide
CID 106143135
4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639804
2-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220024
1,3-diethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyrazole-5-carboxamide
CID 106249765
4-chloro-N-[(4S)-4-methoxypyrrolidin-3-yl]-1-propylpyrrole-2-carboxamide
CID 43639819
4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103873644
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-propylpyrrole-2-carboxamide
CID 106139513
1-ethyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 103712500
4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 79381001
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)pyridine-2-carboxamide
CID 103712367

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide (CID 106250582) is 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)NCC(C)(O)CCOC.
What is the InChIKey of 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is ODFIFPDICUHEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3/c1-4-6-17-9-11(15)8-12(17)13(18)16-10-14(2,19)5-7-20-3/h8-9,19H,4-7,10H2,1-3H3,(H,16,18).
What are the key properties of 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide?
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 302.80 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 106250582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).