N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide

C14H15BrN2O2 — CID 104880413

IUPACN-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)CC1CCCCO1
InChIInChI=1S/C14H15BrN2O2/c15-11-5-4-10(9-16)13(7-11)17-14(18)8-12-3-1-2-6-19-12/h4-5,7,12H,1-3,6,8H2,(H,17,18)
InChIKeyQPFIWSGXRKSSFI-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.22
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide

N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide (PubChem CID 104880413) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
PubChem CID104880413
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
SMILESN#Cc1ccc(Br)cc1NC(=O)CC1CCCCO1
InChIInChI=1S/C14H15BrN2O2/c15-11-5-4-10(9-16)13(7-11)17-14(18)8-12-3-1-2-6-19-12/h4-5,7,12H,1-3,6,8H2,(H,17,18)
InChIKeyQPFIWSGXRKSSFI-UHFFFAOYSA-N
XLogP3.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 104880211
N-(5-bromo-2-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 104880332
N-(2-bromo-4-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 113234651
2-(azetidin-3-yl)-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798290
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-(5-bromo-2-cyanophenyl)propanamide
CID 104880130
N-(4-bromonaphthalen-1-yl)-2-(oxan-2-yl)acetamide
CID 115897768
N-(2-hydroxy-4-nitrophenyl)-2-(oxan-2-yl)acetamide
CID 107745481
N-(4-amino-2,5-dimethylphenyl)-2-(oxan-2-yl)acetamide
CID 103144399
2-[1-(aminomethyl)cyclobutyl]-N-(5-bromo-2-cyanophenyl)acetamide
CID 107798155
3-fluoro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]benzoic acid
CID 129372952
N-(2,5-dibromophenyl)-3-(oxolan-2-yl)propanamide
CID 55611657

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide (CID 104880413) is N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide is N#Cc1ccc(Br)cc1NC(=O)CC1CCCCO1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide?
The InChIKey is QPFIWSGXRKSSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-11-5-4-10(9-16)13(7-11)17-14(18)8-12-3-1-2-6-19-12/h4-5,7,12H,1-3,6,8H2,(H,17,18).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide?
N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide has a molecular weight of 323.19 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 104880413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).