N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide

C14H19BrN2O3 — CID 104760787

IUPACN-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
SMILESCOC1(CNCC(=O)Nc2ccccc2Br)CCOC1
InChIInChI=1S/C14H19BrN2O3/c1-19-14(6-7-20-10-14)9-16-8-13(18)17-12-5-3-2-4-11(12)15/h2-5,16H,6-10H2,1H3,(H,17,18)
InChIKeyJPPDNOGAOAYSGP-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.78
Rot. Bonds6

About N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide

N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide (PubChem CID 104760787) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
PubChem CID104760787
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
SMILESCOC1(CNCC(=O)Nc2ccccc2Br)CCOC1
InChIInChI=1S/C14H19BrN2O3/c1-19-14(6-7-20-10-14)9-16-8-13(18)17-12-5-3-2-4-11(12)15/h2-5,16H,6-10H2,1H3,(H,17,18)
InChIKeyJPPDNOGAOAYSGP-UHFFFAOYSA-N
XLogP1.78
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 104760816
N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
CID 104760842
N-(2-bromophenyl)-2-[(1-hydroxy-4-methylcyclohexyl)methylamino]acetamide
CID 65116145
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
methyl 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]benzoate
CID 104721656
2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 113450182
methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate
CID 104761009
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 81130530
1-(3-bromo-4-methylphenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705138
N-(2-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
CID 65120471
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
N-(2-bromophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595976

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide (CID 104760787) is N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide is COC1(CNCC(=O)Nc2ccccc2Br)CCOC1.
What is the InChIKey of N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide?
The InChIKey is JPPDNOGAOAYSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-19-14(6-7-20-10-14)9-16-8-13(18)17-12-5-3-2-4-11(12)15/h2-5,16H,6-10H2,1H3,(H,17,18).
What are the key properties of N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide?
N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide has a molecular weight of 343.22 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide is sourced from PubChem (CID 104760787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).