4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide

C13H21ClN2O2 — CID 79381001

IUPAC4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H21ClN2O2/c1-5-6-16-8-10(14)7-11(16)12(17)15(4)9-13(2,3)18/h7-8,18H,5-6,9H2,1-4H3
InChIKeyKJFZVPLUNDVVNL-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.39
Rot. Bonds5

About 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide

4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide (PubChem CID 79381001) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
PubChem CID79381001
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H21ClN2O2/c1-5-6-16-8-10(14)7-11(16)12(17)15(4)9-13(2,3)18/h7-8,18H,5-6,9H2,1-4H3
InChIKeyKJFZVPLUNDVVNL-UHFFFAOYSA-N
XLogP2.39
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 79385261
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-methylamino]propanoic acid
CID 60989894
4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 43639802
N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 61448259
3-[(4-chloro-1-propylpyrrole-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 60832442
4-chloro-N-(2-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639804
4-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1-propylpyrrole-2-carboxamide
CID 106250582
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide
CID 116651891
5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119
4-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 60959903
methyl 3-[(4-chloro-1-propylpyrrole-2-carbonyl)-ethylamino]propanoate
CID 61010166
2-[(4-chloro-1-propylpyrrole-2-carbonyl)-prop-2-ynylamino]acetic acid
CID 79273647

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide (CID 79381001) is 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The InChIKey is KJFZVPLUNDVVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-5-6-16-8-10(14)7-11(16)12(17)15(4)9-13(2,3)18/h7-8,18H,5-6,9H2,1-4H3.
What are the key properties of 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide?
4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide has a molecular weight of 272.78 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 79381001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).