3-(4-bromophenoxy)-N-ethylbenzamide

C15H14BrNO2 — CID 12941905

IUPAC3-(4-bromophenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO2/c1-2-17-15(18)11-4-3-5-14(10-11)19-13-8-6-12(16)7-9-13/h3-10H,2H2,1H3,(H,17,18)
InChIKeyMMYYIDBBWZSEFP-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.99
Rot. Bonds4

About 3-(4-bromophenoxy)-N-ethylbenzamide

3-(4-bromophenoxy)-N-ethylbenzamide (PubChem CID 12941905) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-ethylbenzamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-ethylbenzamide
PubChem CID12941905
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-(4-bromophenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(Oc2ccc(Br)cc2)c1
InChIInChI=1S/C15H14BrNO2/c1-2-17-15(18)11-4-3-5-14(10-11)19-13-8-6-12(16)7-9-13/h3-10H,2H2,1H3,(H,17,18)
InChIKeyMMYYIDBBWZSEFP-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenoxy)-N-methylbenzamide
CID 169337021
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide
CID 12941937
3-(2,4-dimethylphenoxy)-N-ethylbenzamide
CID 12941864
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide
CID 158723473
(4-bromophenyl) 3-phenoxybenzoate
CID 7900834
N-[2-(diethylamino)ethyl]-3-phenoxybenzamide
CID 12941795
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide
CID 166050629
2-[[3-(4-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 170962981
N-ethyl-3-hydroxybenzamide
CID 13175248

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-ethylbenzamide?
The IUPAC name of 3-(4-bromophenoxy)-N-ethylbenzamide (CID 12941905) is 3-(4-bromophenoxy)-N-ethylbenzamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-ethylbenzamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-ethylbenzamide is CCNC(=O)c1cccc(Oc2ccc(Br)cc2)c1.
What is the InChIKey of 3-(4-bromophenoxy)-N-ethylbenzamide?
The InChIKey is MMYYIDBBWZSEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-2-17-15(18)11-4-3-5-14(10-11)19-13-8-6-12(16)7-9-13/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of 3-(4-bromophenoxy)-N-ethylbenzamide?
3-(4-bromophenoxy)-N-ethylbenzamide has a molecular weight of 320.19 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-ethylbenzamide is sourced from PubChem (CID 12941905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).