4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide

C11H17ClN2O2 — CID 43639804

IUPAC4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NCC(C)O
InChIInChI=1S/C11H17ClN2O2/c1-3-4-14-7-9(12)5-10(14)11(16)13-6-8(2)15/h5,7-8,15H,3-4,6H2,1-2H3,(H,13,16)
InChIKeyAZSVNEZEVJEHLF-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.66
Rot. Bonds5

About 4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide

4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide (PubChem CID 43639804) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
PubChem CID43639804
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)NCC(C)O
InChIInChI=1S/C11H17ClN2O2/c1-3-4-14-7-9(12)5-10(14)11(16)13-6-8(2)15/h5,7-8,15H,3-4,6H2,1-2H3,(H,13,16)
InChIKeyAZSVNEZEVJEHLF-UHFFFAOYSA-N
XLogP1.66
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-chloro-1-propylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220024
4-chloro-N-[2-(2-hydroxyethyl)pentyl]-1-propylpyrrole-2-carboxamide
CID 106115856
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
N-[(2R)-1-aminopropan-2-yl]-4-chloro-1-propylpyrrole-2-carboxamide
CID 104877038
2-[[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220669
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 60832442
4-chloro-1-ethyl-N-[2-methyl-3-(methylamino)propyl]pyrrole-2-carboxamide
CID 113282529
4-chloro-N-(1-hydroxy-4-methylpentan-2-yl)-1-propylpyrrole-2-carboxamide
CID 61246951
4-chloro-N-hex-5-ynyl-1-propylpyrrole-2-carboxamide
CID 106209755
2-[(4-chloro-1-propylpyrrole-2-carbonyl)amino]pentanedioic acid
CID 60832159
4-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106306233
4-amino-1-ethyl-N-[(2R)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 93254371

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide (CID 43639804) is 4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)NCC(C)O.
What is the InChIKey of 4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is AZSVNEZEVJEHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-3-4-14-7-9(12)5-10(14)11(16)13-6-8(2)15/h5,7-8,15H,3-4,6H2,1-2H3,(H,13,16).
What are the key properties of 4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide?
4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 244.72 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 43639804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).