N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide

C13H15BrN2O3 — CID 2274084

IUPACN'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@@H]1CCCO1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H15BrN2O3/c14-9-3-1-4-10(7-9)16-13(18)12(17)15-8-11-5-2-6-19-11/h1,3-4,7,11H,2,5-6,8H2,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyLESZKBSUIHYVLR-NSHDSACASA-N
MW327.18 g/mol
LogP1.68
Rot. Bonds3

About N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide

N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide (PubChem CID 2274084) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
PubChem CID2274084
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC NameN'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
SMILESO=C(NC[C@@H]1CCCO1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H15BrN2O3/c14-9-3-1-4-10(7-9)16-13(18)12(17)15-8-11-5-2-6-19-11/h1,3-4,7,11H,2,5-6,8H2,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyLESZKBSUIHYVLR-NSHDSACASA-N
XLogP1.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 51.68
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-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289
N'-(3-methylsulfanylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453015
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
N-(3-bromophenyl)-N'-methyl-N'-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 99700386
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
4-(3-bromoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206875
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
5-[(3-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)-2-piperidin-1-ylbenzamide
CID 5228862
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
3-[(4-bromobenzoyl)carbamothioylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54791780

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide (CID 2274084) is N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide is O=C(NC[C@@H]1CCCO1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
The InChIKey is LESZKBSUIHYVLR-NSHDSACASA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-9-3-1-4-10(7-9)16-13(18)12(17)15-8-11-5-2-6-19-11/h1,3-4,7,11H,2,5-6,8H2,(H,15,17)(H,16,18)/t11-/m0/s1.
What are the key properties of N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide?
N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide has a molecular weight of 327.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 2274084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).