4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide

C15H17ClN2O2 — CID 61000804

IUPAC4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C15H17ClN2O2/c1-10(2)18-8-12(16)7-14(18)15(20)17-13-5-3-4-11(6-13)9-19/h3-8,10,19H,9H2,1-2H3,(H,17,20)
InChIKeyYEVUQNYAOBYLKU-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.47
Rot. Bonds4

About 4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide

4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 61000804) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID61000804
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C15H17ClN2O2/c1-10(2)18-8-12(16)7-14(18)15(20)17-13-5-3-4-11(6-13)9-19/h3-8,10,19H,9H2,1-2H3,(H,17,20)
InChIKeyYEVUQNYAOBYLKU-UHFFFAOYSA-N
XLogP3.47
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)amino]benzoic acid
CID 43640030
N-[3-(hydroxymethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 54898037
4-chloro-N-(3-chloro-4-hydroxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64787134
4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61017424
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
N-(4-bromo-3,5-dimethylphenyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 107574915
4-amino-N-(3-iodophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43643244
4-cyano-N-[3-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 111928560
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
N-[3-(hydroxymethyl)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204481
4-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propan-2-ylpyrrole-2-carboxamide
CID 107845959
4-chloro-2-hydroxy-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60715835

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide (CID 61000804) is 4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Cl)cc1C(=O)Nc1cccc(CO)c1.
What is the InChIKey of 4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is YEVUQNYAOBYLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10(2)18-8-12(16)7-14(18)15(20)17-13-5-3-4-11(6-13)9-19/h3-8,10,19H,9H2,1-2H3,(H,17,20).
What are the key properties of 4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide?
4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 61000804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).