4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide

C13H19ClN2O2 — CID 113294464

IUPAC4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H19ClN2O2/c1-16-7-10(14)6-11(16)12(18)15-8-13(9-17)4-2-3-5-13/h6-7,17H,2-5,8-9H2,1H3,(H,15,18)
InChIKeyNTUOTHCHPZSDDH-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.96
Rot. Bonds4

About 4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide

4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 113294464) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID113294464
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NCC1(CO)CCCC1
InChIInChI=1S/C13H19ClN2O2/c1-16-7-10(14)6-11(16)12(18)15-8-13(9-17)4-2-3-5-13/h6-7,17H,2-5,8-9H2,1H3,(H,15,18)
InChIKeyNTUOTHCHPZSDDH-UHFFFAOYSA-N
XLogP1.96
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163722
1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443348
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 115878497
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 79038769
2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
CID 64671752
3,5-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701177
4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propylpyrrole-2-carboxamide
CID 115360482
4-amino-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrrole-2-carboxamide
CID 65104236
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 115363943
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465535
4-bromo-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115360483
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide (CID 113294464) is 4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NCC1(CO)CCCC1.
What is the InChIKey of 4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is NTUOTHCHPZSDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-16-7-10(14)6-11(16)12(18)15-8-13(9-17)4-2-3-5-13/h6-7,17H,2-5,8-9H2,1H3,(H,15,18).
What are the key properties of 4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide?
4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 113294464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).