N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide

C15H19BrFN3O2 — CID 124568281

IUPACN'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
SMILESCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H19BrFN3O2/c1-2-20-7-3-4-11(20)9-18-14(21)15(22)19-13-6-5-10(16)8-12(13)17/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,21)(H,19,22)/t11-/m0/s1
InChIKeyIYKFQEVNVMPIOZ-NSHDSACASA-N
MW372.24 g/mol
LogP2.13
Rot. Bonds4

About N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide

N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide (PubChem CID 124568281) has the molecular formula C15H19BrFN3O2 and a molecular weight of 372.24 g/mol. Its IUPAC name is N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
PubChem CID124568281
Molecular FormulaC15H19BrFN3O2
Molecular Weight372.24 g/mol
Exact Mass371.06
IUPAC NameN'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
SMILESCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H19BrFN3O2/c1-2-20-7-3-4-11(20)9-18-14(21)15(22)19-13-6-5-10(16)8-12(13)17/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,21)(H,19,22)/t11-/m0/s1
InChIKeyIYKFQEVNVMPIOZ-NSHDSACASA-N
XLogP2.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 52.13
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-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 7242428
3-[[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoacetyl]amino]-4-methylbenzoic acid
CID 51053262
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methoxyphenyl)oxamide
CID 2206007
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(4-hydroxyphenyl)oxamide
CID 45495161
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 2205501
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluoro-N-methylbenzamide
CID 79319793
2-[(3-bromobenzoyl)amino]-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluorobenzamide
CID 112823876
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 124568286
2-[(5-bromo-2-fluorophenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111064562
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 65485563
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide (CID 124568281) is N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide is CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
The InChIKey is IYKFQEVNVMPIOZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H19BrFN3O2/c1-2-20-7-3-4-11(20)9-18-14(21)15(22)19-13-6-5-10(16)8-12(13)17/h5-6,8,11H,2-4,7,9H2,1H3,(H,18,21)(H,19,22)/t11-/m0/s1.
What are the key properties of N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide has a molecular weight of 372.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-fluorophenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 124568281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).