N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide

C15H13ClFN3O2 — CID 95159921

IUPACN-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1Cl)c1cccnc1
InChIInChI=1S/C15H13ClFN3O2/c1-9(10-3-2-6-18-8-10)19-14(21)15(22)20-13-7-11(17)4-5-12(13)16/h2-9H,1H3,(H,19,21)(H,20,22)/t9-/m1/s1
InChIKeyZZVHAIAGZNNBNJ-SECBINFHSA-N
MW321.74 g/mol
LogP2.69
Rot. Bonds3

About N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide

N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide (PubChem CID 95159921) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide
PubChem CID95159921
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC NameN-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide
SMILESC[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1Cl)c1cccnc1
InChIInChI=1S/C15H13ClFN3O2/c1-9(10-3-2-6-18-8-10)19-14(21)15(22)20-13-7-11(17)4-5-12(13)16/h2-9H,1H3,(H,19,21)(H,20,22)/t9-/m1/s1
InChIKeyZZVHAIAGZNNBNJ-SECBINFHSA-N
XLogP2.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.69
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-(2,5-difluorophenyl)-N'-(1-phenylethyl)oxamide
CID 44998519
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
N-(2,4-difluorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7393082
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102615860
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43768143
N-(2-chlorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2291188
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2,5-dichloro-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 114917283
N-(2-chloro-4-fluorophenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]oxamide
CID 167967030

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide (CID 95159921) is N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide is C[C@@H](NC(=O)C(=O)Nc1cc(F)ccc1Cl)c1cccnc1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide?
The InChIKey is ZZVHAIAGZNNBNJ-SECBINFHSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c1-9(10-3-2-6-18-8-10)19-14(21)15(22)20-13-7-11(17)4-5-12(13)16/h2-9H,1H3,(H,19,21)(H,20,22)/t9-/m1/s1.
What are the key properties of N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide?
N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide has a molecular weight of 321.74 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-N'-[(1R)-1-pyridin-3-ylethyl]oxamide is sourced from PubChem (CID 95159921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).