N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide

C16H15BrN2O2 — CID 2249399

IUPACN-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H15BrN2O2/c1-11(12-6-3-2-4-7-12)18-15(20)16(21)19-14-9-5-8-13(17)10-14/h2-11H,1H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyXCZDEXUEOYZIPF-NSHDSACASA-N
MW347.21 g/mol
LogP3.27
Rot. Bonds3

About N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide

N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide (PubChem CID 2249399) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
PubChem CID2249399
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)Nc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H15BrN2O2/c1-11(12-6-3-2-4-7-12)18-15(20)16(21)19-14-9-5-8-13(17)10-14/h2-11H,1H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyXCZDEXUEOYZIPF-NSHDSACASA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971
N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide
CID 108507943
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124655998
N-(3-bromophenyl)-N'-[[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 3413827
3-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882994
N'-(3-bromophenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669914
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 51053458
N-(3-acetylphenyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510255
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide
CID 49295659
1-[1-(3-bromophenyl)ethyl]-3-(3-chlorophenyl)urea
CID 60736658
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide (CID 2249399) is N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide is C[C@H](NC(=O)C(=O)Nc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide?
The InChIKey is XCZDEXUEOYZIPF-NSHDSACASA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-11(12-6-3-2-4-7-12)18-15(20)16(21)19-14-9-5-8-13(17)10-14/h2-11H,1H3,(H,18,20)(H,19,21)/t11-/m0/s1.
What are the key properties of N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide?
N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide has a molecular weight of 347.21 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 2249399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).