N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide

C15H17N3O3 — CID 58417491

IUPACN-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cccn1C)c1cccc(C(=O)NO)c1
InChIInChI=1S/C15H17N3O3/c1-10(16-15(20)13-7-4-8-18(13)2)11-5-3-6-12(9-11)14(19)17-21/h3-10,21H,1-2H3,(H,16,20)(H,17,19)
InChIKeyRDKOGHYSHJRAFF-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.64
Rot. Bonds4

About N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide

N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 58417491) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID58417491
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCC(NC(=O)c1cccn1C)c1cccc(C(=O)NO)c1
InChIInChI=1S/C15H17N3O3/c1-10(16-15(20)13-7-4-8-18(13)2)11-5-3-6-12(9-11)14(19)17-21/h3-10,21H,1-2H3,(H,16,20)(H,17,19)
InChIKeyRDKOGHYSHJRAFF-UHFFFAOYSA-N
XLogP1.64
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 58417448
3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide
CID 58417166
N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 87388197
N-hydroxy-2-[1-[(1-methylpyrrole-2-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 58418158
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
N-[(1R)-1-[3-(hydroxycarbamoyl)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58417480
N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane
CID 159508218
1-amino-N-(1-phenylethyl)pyrrole-2-carboxamide
CID 90104072
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 58417388
2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19481371
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
N-[1-(3-bromophenyl)ethyl]-3-iodobenzamide
CID 63531674

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide (CID 58417491) is N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide is CC(NC(=O)c1cccn1C)c1cccc(C(=O)NO)c1.
What is the InChIKey of N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is RDKOGHYSHJRAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(16-15(20)13-7-4-8-18(13)2)11-5-3-6-12(9-11)14(19)17-21/h3-10,21H,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide?
N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 58417491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).