1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide

C14H15ClFN3O3 — CID 44902219

IUPAC1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H15ClFN3O3/c15-10-7-9(1-2-11(10)16)18-13(21)14(22)19-5-3-8(4-6-19)12(17)20/h1-2,7-8H,3-6H2,(H2,17,20)(H,18,21)
InChIKeyDCNVRCKSYAOFRC-UHFFFAOYSA-N
MW327.74 g/mol
LogP1.14
Rot. Bonds2

About 1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide

1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 44902219) has the molecular formula C14H15ClFN3O3 and a molecular weight of 327.74 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID44902219
Molecular FormulaC14H15ClFN3O3
Molecular Weight327.74 g/mol
Exact Mass327.08
IUPAC Name1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H15ClFN3O3/c15-10-7-9(1-2-11(10)16)18-13(21)14(22)19-5-3-8(4-6-19)12(17)20/h1-2,7-8H,3-6H2,(H2,17,20)(H,18,21)
InChIKeyDCNVRCKSYAOFRC-UHFFFAOYSA-N
XLogP1.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335785
1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoacetyl]piperidine-4-carboxamide
CID 44996912
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide
CID 159674801
1-[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108530325
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
(3S)-N-(3-chloro-4-fluorophenyl)-1-(2-oxopropanoyl)pyrrolidine-3-carboxamide;sulfane
CID 159674800
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 44902818
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 95711738
2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976184
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide (CID 44902219) is 1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is DCNVRCKSYAOFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O3/c15-10-7-9(1-2-11(10)16)18-13(21)14(22)19-5-3-8(4-6-19)12(17)20/h1-2,7-8H,3-6H2,(H2,17,20)(H,18,21).
What are the key properties of 1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 327.74 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 44902219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).