N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide

C13H17BrN2O3 — CID 111121394

IUPACN'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide
SMILESCCCC(O)CNC(=O)C(=O)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O3/c1-2-5-9(17)8-15-12(18)13(19)16-11-7-4-3-6-10(11)14/h3-4,6-7,9,17H,2,5,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyDKCNJTZKGJUHFS-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.66
Rot. Bonds5

About N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide

N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide (PubChem CID 111121394) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide.

Molecular Properties

Compound NameN'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide
PubChem CID111121394
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC NameN'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide
SMILESCCCC(O)CNC(=O)C(=O)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O3/c1-2-5-9(17)8-15-12(18)13(19)16-11-7-4-3-6-10(11)14/h3-4,6-7,9,17H,2,5,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyDKCNJTZKGJUHFS-UHFFFAOYSA-N
XLogP1.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
N-(2-hydroxypentyl)-N'-(4-methylphenyl)oxamide
CID 115623569
N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxypentyl)oxamide
CID 111121406
N'-(2-bromophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491139
1-(2-bromophenyl)-3-(2-hydroxypropyl)urea
CID 117235730
N'-(2-bromophenyl)-N-(3-ethoxypropyl)oxamide
CID 4614833
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
N-(2-bromophenyl)butanamide
CID 732405
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437
N'-(3,5-dichloro-4-methylphenyl)-N-(2-hydroxypentyl)oxamide
CID 111121391
N-(2-bromophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
CID 79109826
(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide
CID 9440741

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide?
The IUPAC name of N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide (CID 111121394) is N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide.
What is the SMILES notation for N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide?
The canonical SMILES for N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide is CCCC(O)CNC(=O)C(=O)Nc1ccccc1Br.
What is the InChIKey of N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide?
The InChIKey is DKCNJTZKGJUHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-2-5-9(17)8-15-12(18)13(19)16-11-7-4-3-6-10(11)14/h3-4,6-7,9,17H,2,5,8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide?
N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide has a molecular weight of 329.19 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromophenyl)-N-(2-hydroxypentyl)oxamide is sourced from PubChem (CID 111121394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).