4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide

C13H20Cl2N2O2 — CID 54994520

IUPAC4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C13H20Cl2N2O2/c1-4-9(5-2)17(6-7-18)13(19)11-8-10(14)12(15)16(11)3/h8-9,18H,4-7H2,1-3H3
InChIKeyIYFFJXJAVUNOMI-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.95
Rot. Bonds6

About 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide

4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide (PubChem CID 54994520) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide
PubChem CID54994520
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC Name4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide
SMILESCCC(CC)N(CCO)C(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C13H20Cl2N2O2/c1-4-9(5-2)17(6-7-18)13(19)11-8-10(14)12(15)16(11)3/h8-9,18H,4-7H2,1-3H3
InChIKeyIYFFJXJAVUNOMI-UHFFFAOYSA-N
XLogP2.95
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 103857527
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 82772197
2-[carboxymethyl-(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]acetic acid
CID 63650833
3-(3,5-dichlorophenyl)-N-(2-hydroxyethyl)-N-pentan-3-ylprop-2-enamide
CID 76911154
3,4-dihydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 107728479
N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 54993744
4-amino-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrazole-5-carboxamide
CID 65359362
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 54995378
2-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 43171651
2,5-dichloro-N-(2-chloroethyl)-N-pentan-3-ylbenzamide
CID 63395991
5-hydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 63850846
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121727

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide (CID 54994520) is 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide is CCC(CC)N(CCO)C(=O)c1cc(Cl)c(Cl)n1C.
What is the InChIKey of 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide?
The InChIKey is IYFFJXJAVUNOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2/c1-4-9(5-2)17(6-7-18)13(19)11-8-10(14)12(15)16(11)3/h8-9,18H,4-7H2,1-3H3.
What are the key properties of 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide?
4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide has a molecular weight of 307.22 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(2-hydroxyethyl)-1-methyl-N-pentan-3-ylpyrrole-2-carboxamide is sourced from PubChem (CID 54994520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).