3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

C15H20BrNO3 — CID 71979385

IUPAC3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(Br)cc1)NCC1(O)CCOCC1
InChIInChI=1S/C15H20BrNO3/c16-13-4-1-12(2-5-13)3-6-14(18)17-11-15(19)7-9-20-10-8-15/h1-2,4-5,19H,3,6-11H2,(H,17,18)
InChIKeyHSWDGVAAQNZXHI-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.04
Rot. Bonds5

About 3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (PubChem CID 71979385) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
PubChem CID71979385
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESO=C(CCc1ccc(Br)cc1)NCC1(O)CCOCC1
InChIInChI=1S/C15H20BrNO3/c16-13-4-1-12(2-5-13)3-6-14(18)17-11-15(19)7-9-20-10-8-15/h1-2,4-5,19H,3,6-11H2,(H,17,18)
InChIKeyHSWDGVAAQNZXHI-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (CID 71979385) is 3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is O=C(CCc1ccc(Br)cc1)NCC1(O)CCOCC1.
What is the InChIKey of 3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The InChIKey is HSWDGVAAQNZXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-13-4-1-12(2-5-13)3-6-14(18)17-11-15(19)7-9-20-10-8-15/h1-2,4-5,19H,3,6-11H2,(H,17,18).
What are the key properties of 3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide has a molecular weight of 342.23 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is sourced from PubChem (CID 71979385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).