N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide

C15H16ClF2N3O3 — CID 129209002

IUPACN-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide
SMILESCC1C(C(=O)Nc2ccc(F)c(Cl)c2F)CCCN1C(=O)C(N)=O
InChIInChI=1S/C15H16ClF2N3O3/c1-7-8(3-2-6-21(7)15(24)13(19)22)14(23)20-10-5-4-9(17)11(16)12(10)18/h4-5,7-8H,2-3,6H2,1H3,(H2,19,22)(H,20,23)
InChIKeyWPLMCRDWBCOZAF-UHFFFAOYSA-N
MW359.76 g/mol
LogP1.67
Rot. Bonds2

About N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide

N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide (PubChem CID 129209002) has the molecular formula C15H16ClF2N3O3 and a molecular weight of 359.76 g/mol. Its IUPAC name is N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide
PubChem CID129209002
Molecular FormulaC15H16ClF2N3O3
Molecular Weight359.76 g/mol
Exact Mass359.08
IUPAC NameN-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide
SMILESCC1C(C(=O)Nc2ccc(F)c(Cl)c2F)CCCN1C(=O)C(N)=O
InChIInChI=1S/C15H16ClF2N3O3/c1-7-8(3-2-6-21(7)15(24)13(19)22)14(23)20-10-5-4-9(17)11(16)12(10)18/h4-5,7-8H,2-3,6H2,1H3,(H2,19,22)(H,20,23)
InChIKeyWPLMCRDWBCOZAF-UHFFFAOYSA-N
XLogP1.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.76
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxaldehydoylpyrrolidine-3-carboxamide
CID 155717809
(2S,3S)-N-(3-chloro-2,4-difluorophenyl)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methylpyrrolidine-3-carboxamide
CID 155277167
2-[(2S,3S)-3-[(3,4-difluorophenyl)carbamoyl]-2-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 155268776
2-methyl-3-N-phenylpiperidine-1,3-dicarboxamide
CID 66701465
(2R)-1-(2,5-dichlorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 51937320
tert-butyl (2R)-2-[(2,3,4-trifluorophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 94920536
(2R)-1-(4-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92664975
tert-butyl (2S,3R,4S)-2-[(3-chloro-2,4-difluorophenyl)carbamoyl]-3,4-dihydroxypyrrolidine-1-carboxylate
CID 156637480
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
(2S,3S)-N-[3-(difluoromethyl)-2,4-difluorophenyl]-2-methyl-1-[2-oxo-2-[[(1S)-3,3,3-trifluoro-1-(2H-triazol-4-yl)propyl]amino]acetyl]pyrrolidine-3-carboxamide
CID 155277186
(2S)-1-(3-fluorobenzoyl)-N-(2,3,4-trifluorophenyl)pyrrolidine-2-carboxamide
CID 92668317

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide (CID 129209002) is N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide is CC1C(C(=O)Nc2ccc(F)c(Cl)c2F)CCCN1C(=O)C(N)=O.
What is the InChIKey of N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide?
The InChIKey is WPLMCRDWBCOZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O3/c1-7-8(3-2-6-21(7)15(24)13(19)22)14(23)20-10-5-4-9(17)11(16)12(10)18/h4-5,7-8H,2-3,6H2,1H3,(H2,19,22)(H,20,23).
What are the key properties of N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide?
N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide has a molecular weight of 359.76 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,4-difluorophenyl)-2-methyl-1-oxamoylpiperidine-3-carboxamide is sourced from PubChem (CID 129209002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).