N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide

C13H16ClFN2O3 — CID 111799040

IUPACN-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide
SMILESCCC(CCO)NC(=O)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O3/c1-2-9(5-6-18)16-12(19)13(20)17-11-7-8(14)3-4-10(11)15/h3-4,7,9,18H,2,5-6H2,1H3,(H,16,19)(H,17,20)
InChIKeyVMBVXXBQWAGPLG-UHFFFAOYSA-N
MW302.73 g/mol
LogP1.69
Rot. Bonds5

About N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide

N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide (PubChem CID 111799040) has the molecular formula C13H16ClFN2O3 and a molecular weight of 302.73 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide
PubChem CID111799040
Molecular FormulaC13H16ClFN2O3
Molecular Weight302.73 g/mol
Exact Mass302.08
IUPAC NameN-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide
SMILESCCC(CCO)NC(=O)C(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C13H16ClFN2O3/c1-2-9(5-6-18)16-12(19)13(20)17-11-7-8(14)3-4-10(11)15/h3-4,7,9,18H,2,5-6H2,1H3,(H,16,19)(H,17,20)
InChIKeyVMBVXXBQWAGPLG-UHFFFAOYSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 51.69
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-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 45000896
N'-(1-hydroxypentan-3-yl)-N-(2,4,6-trifluorophenyl)oxamide
CID 111798998
N-(2,4-dichlorophenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 108502845
N-[2-fluoro-5-(trifluoromethyl)phenyl]-N'-(1-hydroxybutan-2-yl)oxamide
CID 110930863
N-(2-fluorophenyl)-N'-[(2R)-1-hydroxybutan-2-yl]oxamide
CID 40714989
N'-[1-[(2R)-butan-2-yl]-5-methylpyrazol-3-yl]-N-(5-chloro-2-fluorophenyl)oxamide
CID 99801692
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
N-(2-benzylphenyl)-N'-(1-hydroxypentan-3-yl)oxamide
CID 111799039
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490767
N'-(1-hydroxypentan-3-yl)-N-naphthalen-2-yloxamide
CID 111799046
2-(5-chloro-2-fluoroanilino)-2-oxoacetic acid
CID 43444985

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide (CID 111799040) is N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide is CCC(CCO)NC(=O)C(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide?
The InChIKey is VMBVXXBQWAGPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O3/c1-2-9(5-6-18)16-12(19)13(20)17-11-7-8(14)3-4-10(11)15/h3-4,7,9,18H,2,5-6H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide?
N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide has a molecular weight of 302.73 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-N'-(1-hydroxypentan-3-yl)oxamide is sourced from PubChem (CID 111799040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).