N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide

C14H19BrN2O2 — CID 63711846

IUPACN-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
SMILESO=C(CNCC1CCOCC1)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-12-2-1-3-13(8-12)17-14(18)10-16-9-11-4-6-19-7-5-11/h1-3,8,11,16H,4-7,9-10H2,(H,17,18)
InChIKeyQROOLTGAONFCGD-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.40
Rot. Bonds5

About N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide

N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide (PubChem CID 63711846) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
PubChem CID63711846
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide
SMILESO=C(CNCC1CCOCC1)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-12-2-1-3-13(8-12)17-14(18)10-16-9-11-4-6-19-7-5-11/h1-3,8,11,16H,4-7,9-10H2,(H,17,18)
InChIKeyQROOLTGAONFCGD-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide (CID 63711846) is N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide is O=C(CNCC1CCOCC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide?
The InChIKey is QROOLTGAONFCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-2-1-3-13(8-12)17-14(18)10-16-9-11-4-6-19-7-5-11/h1-3,8,11,16H,4-7,9-10H2,(H,17,18).
What are the key properties of N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide?
N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(oxan-4-ylmethylamino)acetamide is sourced from PubChem (CID 63711846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).