N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide

C14H19BrN2O3 — CID 108525873

IUPACN'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCCCCO)ccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-10-9-11(5-6-12(10)15)17-14(20)13(19)16-7-3-2-4-8-18/h5-6,9,18H,2-4,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyHMQAKFZYECGOTD-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.97
Rot. Bonds6

About N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide

N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide (PubChem CID 108525873) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide
PubChem CID108525873
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCCCCO)ccc1Br
InChIInChI=1S/C14H19BrN2O3/c1-10-9-11(5-6-12(10)15)17-14(20)13(19)16-7-3-2-4-8-18/h5-6,9,18H,2-4,7-8H2,1H3,(H,16,19)(H,17,20)
InChIKeyHMQAKFZYECGOTD-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide?
The IUPAC name of N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide (CID 108525873) is N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide.
What is the SMILES notation for N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide?
The canonical SMILES for N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide is Cc1cc(NC(=O)C(=O)NCCCCCO)ccc1Br.
What is the InChIKey of N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide?
The InChIKey is HMQAKFZYECGOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-10-9-11(5-6-12(10)15)17-14(20)13(19)16-7-3-2-4-8-18/h5-6,9,18H,2-4,7-8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide?
N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide has a molecular weight of 343.22 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide is sourced from PubChem (CID 108525873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).