2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide

C18H13BrN2O2 — CID 52668970

IUPAC2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccccc1Oc1cccc(Br)c1
InChIInChI=1S/C18H13BrN2O2/c19-13-6-5-7-14(12-13)23-16-9-2-1-8-15(16)18(22)21-17-10-3-4-11-20-17/h1-12H,(H,20,21,22)
InChIKeyTZJWBAHCZZUJEP-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.89
Rot. Bonds4

About 2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide

2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide (PubChem CID 52668970) has the molecular formula C18H13BrN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide
PubChem CID52668970
Molecular FormulaC18H13BrN2O2
Molecular Weight369.22 g/mol
Exact Mass368.02
IUPAC Name2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccccc1Oc1cccc(Br)c1
InChIInChI=1S/C18H13BrN2O2/c19-13-6-5-7-14(12-13)23-16-9-2-1-8-15(16)18(22)21-17-10-3-4-11-20-17/h1-12H,(H,20,21,22)
InChIKeyTZJWBAHCZZUJEP-UHFFFAOYSA-N
XLogP4.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-pyridin-2-ylbenzamide;trihydrochloride
CID 175760684
5-bromo-2-chloro-N-pyridin-2-ylbenzamide
CID 774435
2-(3-bromophenoxy)-N-(3-hydroxypropyl)benzamide
CID 78898290
5-bromo-2-iodo-N-pyridin-2-ylbenzamide
CID 23819192
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
3-[[2-(3-bromophenoxy)benzoyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60530746
2-[(2-ethoxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 90010791
2-methoxy-4,5-dimethyl-N-pyridin-2-ylbenzamide
CID 110761563
6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367432
4-amino-N-pyridin-2-ylpyridine-3-carboxamide
CID 81236875
2,3,4-trimethoxy-N-pyridin-2-ylbenzamide
CID 17399517
2-phenoxy-N-phenylbenzamide
CID 3402306

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide (CID 52668970) is 2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccccc1Oc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide?
The InChIKey is TZJWBAHCZZUJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2O2/c19-13-6-5-7-14(12-13)23-16-9-2-1-8-15(16)18(22)21-17-10-3-4-11-20-17/h1-12H,(H,20,21,22).
What are the key properties of 2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide?
2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide has a molecular weight of 369.22 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 52668970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).