1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide

C16H19BrN2O3 — CID 108973362

IUPAC1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCC1CCCO1)C1(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C16H19BrN2O3/c17-12-5-1-2-6-13(12)19-15(21)16(7-8-16)14(20)18-10-11-4-3-9-22-11/h1-2,5-6,11H,3-4,7-10H2,(H,18,20)(H,19,21)
InChIKeyOISZGRYXCCJQJG-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.46
Rot. Bonds5

About 1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide

1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108973362) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108973362
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
SMILESO=C(NCC1CCCO1)C1(C(=O)Nc2ccccc2Br)CC1
InChIInChI=1S/C16H19BrN2O3/c17-12-5-1-2-6-13(12)19-15(21)16(7-8-16)14(20)18-10-11-4-3-9-22-11/h1-2,5-6,11H,3-4,7-10H2,(H,18,20)(H,19,21)
InChIKeyOISZGRYXCCJQJG-UHFFFAOYSA-N
XLogP2.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(oxolan-2-ylmethyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973334
N-(2-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]acetamide
CID 8788462
N-(2-bromophenyl)-2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]acetamide
CID 8788459
1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108973227
methyl 4-[[1-(oxolan-2-ylmethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108973348
2-[(2-bromobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 4935365
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836534
1-N'-(1,3-benzodioxol-5-yl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973367
1-N'-benzyl-1-N'-methyl-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108973228
2-[bis(oxolan-2-ylmethyl)amino]-N-(2-bromophenyl)acetamide
CID 47056113
N-(oxolan-2-ylmethyl)-2-[(1-phenylcyclopentanecarbonyl)amino]benzamide
CID 133262290
1-N'-benzyl-1-N-(oxolan-2-ylmethyl)-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108973277

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide (CID 108973362) is 1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide is O=C(NCC1CCCO1)C1(C(=O)Nc2ccccc2Br)CC1.
What is the InChIKey of 1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is OISZGRYXCCJQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c17-12-5-1-2-6-13(12)19-15(21)16(7-8-16)14(20)18-10-11-4-3-9-22-11/h1-2,5-6,11H,3-4,7-10H2,(H,18,20)(H,19,21).
What are the key properties of 1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 367.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2-bromophenyl)-1-N-(oxolan-2-ylmethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).