N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide

C14H15ClFN3O3 — CID 108530544

IUPACN-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide
SMILESO=C(NC(=O)C1CCNCC1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O3/c15-10-7-9(1-2-11(10)16)18-13(21)14(22)19-12(20)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2,(H,18,21)(H,19,20,22)
InChIKeyILENNFXRMWKYCE-UHFFFAOYSA-N
MW327.74 g/mol
LogP1.06
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide

N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide (PubChem CID 108530544) has the molecular formula C14H15ClFN3O3 and a molecular weight of 327.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide
PubChem CID108530544
Molecular FormulaC14H15ClFN3O3
Molecular Weight327.74 g/mol
Exact Mass327.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide
SMILESO=C(NC(=O)C1CCNCC1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O3/c15-10-7-9(1-2-11(10)16)18-13(21)14(22)19-12(20)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2,(H,18,21)(H,19,20,22)
InChIKeyILENNFXRMWKYCE-UHFFFAOYSA-N
XLogP1.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 51.06
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-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(4-carbamoylphenyl)-N'-(piperidine-4-carbonyl)oxamide
CID 108530454
N-(1,3-benzodioxol-5-yl)-N'-(piperidine-4-carbonyl)oxamide
CID 108531851
N-(3-chloro-4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 119317112
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
1-(3-chloro-4-fluorophenyl)-3-[(3S,4R)-4-hydroxypiperidin-3-yl]urea;hydrochloride
CID 154905367
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
N-[3-chloro-4-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 54862779
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569
N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933053
methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate
CID 43707540

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide (CID 108530544) is N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide is O=C(NC(=O)C1CCNCC1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide?
The InChIKey is ILENNFXRMWKYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O3/c15-10-7-9(1-2-11(10)16)18-13(21)14(22)19-12(20)8-3-5-17-6-4-8/h1-2,7-8,17H,3-6H2,(H,18,21)(H,19,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide?
N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide has a molecular weight of 327.74 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-N'-(piperidine-4-carbonyl)oxamide is sourced from PubChem (CID 108530544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).