3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide

C15H18BrNO2 — CID 93318244

IUPAC3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
SMILESO=C(c1cccc(Br)c1)N(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C15H18BrNO2/c16-13-3-1-2-12(8-13)15(18)17(14-4-5-14)9-11-6-7-19-10-11/h1-3,8,11,14H,4-7,9-10H2/t11-/m1/s1
InChIKeyLTQFSEMKQVHQGT-LLVKDONJSA-N
MW324.22 g/mol
LogP3.09
Rot. Bonds4

About 3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide

3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide (PubChem CID 93318244) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
PubChem CID93318244
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
SMILESO=C(c1cccc(Br)c1)N(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C15H18BrNO2/c16-13-3-1-2-12(8-13)15(18)17(14-4-5-14)9-11-6-7-19-10-11/h1-3,8,11,14H,4-7,9-10H2/t11-/m1/s1
InChIKeyLTQFSEMKQVHQGT-LLVKDONJSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 47209992
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 54904600
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728
6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 55052541
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95054883
3-bromo-N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394655
N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide
CID 47922463
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 115540392
N-cyclopropyl-2,3-dimethyl-N-(oxolan-3-ylmethyl)-1H-indole-5-carboxamide
CID 87011207
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide (CID 93318244) is 3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide is O=C(c1cccc(Br)c1)N(C[C@H]1CCOC1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide?
The InChIKey is LTQFSEMKQVHQGT-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-13-3-1-2-12(8-13)15(18)17(14-4-5-14)9-11-6-7-19-10-11/h1-3,8,11,14H,4-7,9-10H2/t11-/m1/s1.
What are the key properties of 3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide?
3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide has a molecular weight of 324.22 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 93318244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).