3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide

C14H17BrN2O4 — CID 103848664

IUPAC3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCC1(O)CCOC1
InChIInChI=1S/C14H17BrN2O4/c15-11-3-1-2-10(6-11)13(19)16-7-12(18)17-8-14(20)4-5-21-9-14/h1-3,6,20H,4-5,7-9H2,(H,16,19)(H,17,18)
InChIKeySIYAZGZYXKNWSF-UHFFFAOYSA-N
MW357.20 g/mol
LogP0.45
Rot. Bonds5

About 3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide

3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 103848664) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is 3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID103848664
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NCC1(O)CCOC1
InChIInChI=1S/C14H17BrN2O4/c15-11-3-1-2-10(6-11)13(19)16-7-12(18)17-8-14(20)4-5-21-9-14/h1-3,6,20H,4-5,7-9H2,(H,16,19)(H,17,18)
InChIKeySIYAZGZYXKNWSF-UHFFFAOYSA-N
XLogP0.45
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
3-bromo-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 18150703
2-(4-bromo-2-methylanilino)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 100756470
2-[4-[[2-[(3-bromobenzoyl)amino]acetyl]amino]oxan-4-yl]acetic acid
CID 120521496
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
3-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzamide
CID 103849475
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 111696598
2,5-dibromo-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 104920466
2-(3-fluorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]acetamide
CID 124679635
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 84590622
3-(3-bromophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 79038684
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide (CID 103848664) is 3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)NCC1(O)CCOC1.
What is the InChIKey of 3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is SIYAZGZYXKNWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c15-11-3-1-2-10(6-11)13(19)16-7-12(18)17-8-14(20)4-5-21-9-14/h1-3,6,20H,4-5,7-9H2,(H,16,19)(H,17,18).
What are the key properties of 3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 357.20 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[(3-hydroxyoxolan-3-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 103848664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).