4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide

C22H23BrN2O3 — CID 50821548

IUPAC4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)NCC3CCCO3)CC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN2O3/c23-17-7-3-15(4-8-17)20(26)25-18-9-5-16(6-10-18)22(11-12-22)21(27)24-14-19-2-1-13-28-19/h3-10,19H,1-2,11-14H2,(H,24,27)(H,25,26)
InChIKeyXXWJQNUUUDAJSR-UHFFFAOYSA-N
MW443.34 g/mol
LogP4.03
Rot. Bonds6

About 4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide

4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide (PubChem CID 50821548) has the molecular formula C22H23BrN2O3 and a molecular weight of 443.34 g/mol. Its IUPAC name is 4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide
PubChem CID50821548
Molecular FormulaC22H23BrN2O3
Molecular Weight443.34 g/mol
Exact Mass442.09
IUPAC Name4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2(C(=O)NCC3CCCO3)CC2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN2O3/c23-17-7-3-15(4-8-17)20(26)25-18-9-5-16(6-10-18)22(11-12-22)21(27)24-14-19-2-1-13-28-19/h3-10,19H,1-2,11-14H2,(H,24,27)(H,25,26)
InChIKeyXXWJQNUUUDAJSR-UHFFFAOYSA-N
XLogP4.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-[1-(ethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821516
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880180
4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821654
1-[4-[(2-methoxyacetyl)amino]phenyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 20972770
1-(4-bromophenyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]cyclopropane-1-carboxamide
CID 94630208
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880218
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
N-[4-[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]phenyl]oxolane-2-carboxamide
CID 43062523
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 113198625
2-(4-bromophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981222
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of 4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide (CID 50821548) is 4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide is O=C(Nc1ccc(C2(C(=O)NCC3CCCO3)CC2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide?
The InChIKey is XXWJQNUUUDAJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O3/c23-17-7-3-15(4-8-17)20(26)25-18-9-5-16(6-10-18)22(11-12-22)21(27)24-14-19-2-1-13-28-19/h3-10,19H,1-2,11-14H2,(H,24,27)(H,25,26).
What are the key properties of 4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide?
4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide has a molecular weight of 443.34 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[1-(oxolan-2-ylmethylcarbamoyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 50821548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).