4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide

C11H14Cl2N2O2 — CID 113344807

IUPAC4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)NC2(CO)CCC2)cc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-15-8(5-7(12)9(15)13)10(17)14-11(6-16)3-2-4-11/h5,16H,2-4,6H2,1H3,(H,14,17)
InChIKeyCWTXBJRUXGRAKH-UHFFFAOYSA-N
MW277.15 g/mol
LogP1.98
Rot. Bonds3

About 4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide (PubChem CID 113344807) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
PubChem CID113344807
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)NC2(CO)CCC2)cc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N2O2/c1-15-8(5-7(12)9(15)13)10(17)14-11(6-16)3-2-4-11/h5,16H,2-4,6H2,1H3,(H,14,17)
InChIKeyCWTXBJRUXGRAKH-UHFFFAOYSA-N
XLogP1.98
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 115878497
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155
4-amino-3,5-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 82833008
N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide
CID 103881180
2-ethyl-N-[1-(hydroxymethyl)cyclobutyl]-5-methylpyrazole-3-carboxamide
CID 113344850
2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
CID 64671752
4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115878266
4-chloro-N-[1-(hydroxymethyl)cyclopentyl]-2-methylbenzamide
CID 113356724
2,6-dichloro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62519426
4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide
CID 62526339
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 62519693

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide (CID 113344807) is 4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)NC2(CO)CCC2)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is CWTXBJRUXGRAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-15-8(5-7(12)9(15)13)10(17)14-11(6-16)3-2-4-11/h5,16H,2-4,6H2,1H3,(H,14,17).
What are the key properties of 4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 277.15 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 113344807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).