5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide

C19H22BrNO2 — CID 2947744

IUPAC5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCCOc1ccc(Br)cc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C19H22BrNO2/c1-3-23-18-12-11-16(20)13-17(18)19(22)21-14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3,(H,21,22)
InChIKeyWUEKTNFHHJSSMR-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.60
Rot. Bonds7

About 5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide

5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 2947744) has the molecular formula C19H22BrNO2 and a molecular weight of 376.29 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
PubChem CID2947744
Molecular FormulaC19H22BrNO2
Molecular Weight376.29 g/mol
Exact Mass375.08
IUPAC Name5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCCOc1ccc(Br)cc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C19H22BrNO2/c1-3-23-18-12-11-16(20)13-17(18)19(22)21-14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3,(H,21,22)
InChIKeyWUEKTNFHHJSSMR-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
CID 975653
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide
CID 43911555
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
3-bromo-N-(4-phenylbutan-2-yl)benzamide
CID 2900387
3-bromo-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 880257
2-(4-bromo-2-formylphenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7820162
5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17352958
3,5-diethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 46853566
6-bromo-2-oxo-N-[(2R)-4-phenylbutan-2-yl]chromene-3-carboxamide
CID 2090696
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide (CID 2947744) is 5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide is CCOc1ccc(Br)cc1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is WUEKTNFHHJSSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2/c1-3-23-18-12-11-16(20)13-17(18)19(22)21-14(2)9-10-15-7-5-4-6-8-15/h4-8,11-14H,3,9-10H2,1-2H3,(H,21,22).
What are the key properties of 5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide?
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 376.29 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2947744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).