2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide

C16H16BrNO3 — CID 78898290

IUPAC2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide
SMILESO=C(NCCCO)c1ccccc1Oc1cccc(Br)c1
InChIInChI=1S/C16H16BrNO3/c17-12-5-3-6-13(11-12)21-15-8-2-1-7-14(15)16(20)18-9-4-10-19/h1-3,5-8,11,19H,4,9-10H2,(H,18,20)
InChIKeyLQQQSJQRQLMCTQ-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.35
Rot. Bonds6

About 2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide

2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide (PubChem CID 78898290) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide
PubChem CID78898290
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide
SMILESO=C(NCCCO)c1ccccc1Oc1cccc(Br)c1
InChIInChI=1S/C16H16BrNO3/c17-12-5-3-6-13(11-12)21-15-8-2-1-7-14(15)16(20)18-9-4-10-19/h1-3,5-8,11,19H,4,9-10H2,(H,18,20)
InChIKeyLQQQSJQRQLMCTQ-UHFFFAOYSA-N
XLogP3.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenoxy)-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 60507504
2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide
CID 52668970
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636
1-[2-(3-bromophenoxy)benzoyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974223
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60530746
3-amino-2-bromo-N-(5-hydroxypentyl)benzamide
CID 107316301
2-(difluoromethoxy)-N-(6-hydroxyhexyl)benzamide
CID 103918835
2-ethoxy-N-[4-(3-hydroxypropylamino)-4-oxobutyl]benzamide
CID 78854842
2-(bromomethoxy)-N-(2-hydroxyethyl)benzamide
CID 82109194
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide (CID 78898290) is 2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide is O=C(NCCCO)c1ccccc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide?
The InChIKey is LQQQSJQRQLMCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c17-12-5-3-6-13(11-12)21-15-8-2-1-7-14(15)16(20)18-9-4-10-19/h1-3,5-8,11,19H,4,9-10H2,(H,18,20).
What are the key properties of 2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide?
2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide has a molecular weight of 350.21 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 78898290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).