4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide

C12H19ClN2O3 — CID 61233626

IUPAC4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)N(CCO)CCO
InChIInChI=1S/C12H19ClN2O3/c1-9(2)15-8-10(13)7-11(15)12(18)14(3-5-16)4-6-17/h7-9,16-17H,3-6H2,1-2H3
InChIKeyFJHZIXRRUAUOCH-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.15
Rot. Bonds6

About 4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide

4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61233626) has the molecular formula C12H19ClN2O3 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61233626
Molecular FormulaC12H19ClN2O3
Molecular Weight274.75 g/mol
Exact Mass274.11
IUPAC Name4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)N(CCO)CCO
InChIInChI=1S/C12H19ClN2O3/c1-9(2)15-8-10(13)7-11(15)12(18)14(3-5-16)4-6-17/h7-9,16-17H,3-6H2,1-2H3
InChIKeyFJHZIXRRUAUOCH-UHFFFAOYSA-N
XLogP1.15
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 115772438
4-chloro-N-(2-hydroxypropyl)-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 62335560
N-(3-aminopropyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115318923
4-amino-N-(2-hydroxyethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 43643965
N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 61233452
N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 61448259
N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115317428
ethyl 2-[(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)-methylamino]acetate
CID 55008014
4-amino-N-ethyl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 43643428
4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 60807794
4-chloro-N-[2-(methylamino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62659651
4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propan-2-ylpyrrole-2-carboxamide
CID 107845959

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 61233626) is 4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Cl)cc1C(=O)N(CCO)CCO.
What is the InChIKey of 4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is FJHZIXRRUAUOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3/c1-9(2)15-8-10(13)7-11(15)12(18)14(3-5-16)4-6-17/h7-9,16-17H,3-6H2,1-2H3.
What are the key properties of 4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(2-hydroxyethyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61233626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).