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

C15H20BrNO3 — CID 79038684

IUPAC3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)NCC1(O)CCOCC1
InChIInChI=1S/C15H20BrNO3/c16-13-3-1-2-12(10-13)4-5-14(18)17-11-15(19)6-8-20-9-7-15/h1-3,10,19H,4-9,11H2,(H,17,18)
InChIKeyASOHZZYMBJGMBN-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.04
Rot. Bonds5

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

3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (PubChem CID 79038684) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
PubChem CID79038684
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)NCC1(O)CCOCC1
InChIInChI=1S/C15H20BrNO3/c16-13-3-1-2-12(10-13)4-5-14(18)17-11-15(19)6-8-20-9-7-15/h1-3,10,19H,4-9,11H2,(H,17,18)
InChIKeyASOHZZYMBJGMBN-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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Related Compounds

4-[[3-(3-bromophenyl)propanoylamino]methyl]oxane-4-carboxylic acid
CID 120543231
3-(3-bromophenyl)-N-[(3-hydroxythiolan-3-yl)methyl]propanamide
CID 111597105
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449320
3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
CID 115271382
3-(4-fluorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79039118
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544919
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-phenylbutanamide
CID 60526265
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
(E)-3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]prop-2-enamide
CID 79039444

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (CID 79038684) is 3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is O=C(CCc1cccc(Br)c1)NCC1(O)CCOCC1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The InChIKey is ASOHZZYMBJGMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-13-3-1-2-12(10-13)4-5-14(18)17-11-15(19)6-8-20-9-7-15/h1-3,10,19H,4-9,11H2,(H,17,18).
What are the key properties of 3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
3-(3-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-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is sourced from PubChem (CID 79038684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).