N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide

C15H16ClN3O3 — CID 90496385

IUPACN'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
SMILESCn1cccc1C(O)CNC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O3/c1-19-7-3-6-12(19)13(20)9-17-14(21)15(22)18-11-5-2-4-10(16)8-11/h2-8,13,20H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyFYPOLWAOMDPUGP-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.47
Rot. Bonds4

About N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide

N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide (PubChem CID 90496385) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
PubChem CID90496385
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC NameN'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
SMILESCn1cccc1C(O)CNC(=O)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H16ClN3O3/c1-19-7-3-6-12(19)13(20)9-17-14(21)15(22)18-11-5-2-4-10(16)8-11/h2-8,13,20H,9H2,1H3,(H,17,21)(H,18,22)
InChIKeyFYPOLWAOMDPUGP-UHFFFAOYSA-N
XLogP1.47
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-N'-(4-methylphenyl)oxamide
CID 90496364
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496403
N-[(4-chlorophenyl)methyl]-N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 90496402
1-(3,4-dichlorophenyl)-3-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 95982618
N-[(2-chlorophenyl)methyl]-N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 71781641
N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 110473507
1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea
CID 90496420
N'-(3-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454514
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(dimethylamino)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 42265452
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187
1-(2,6-difluorophenyl)-3-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]urea
CID 71781655

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide (CID 90496385) is N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide is Cn1cccc1C(O)CNC(=O)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
The InChIKey is FYPOLWAOMDPUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-19-7-3-6-12(19)13(20)9-17-14(21)15(22)18-11-5-2-4-10(16)8-11/h2-8,13,20H,9H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide?
N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide has a molecular weight of 321.76 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide is sourced from PubChem (CID 90496385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).