5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide

C17H18BrNO2 — CID 975653

IUPAC5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H18BrNO2/c1-3-21-16-10-9-14(18)11-15(16)17(20)19-12(2)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyMIKGXKORVQITLI-GFCCVEGCSA-N
MW348.24 g/mol
LogP4.34
Rot. Bonds5

About 5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide

5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 975653) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
PubChem CID975653
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C17H18BrNO2/c1-3-21-16-10-9-14(18)11-15(16)17(20)19-12(2)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyMIKGXKORVQITLI-GFCCVEGCSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17352958
5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide
CID 43911555
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2947744
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
2,5-dibromo-N-[(1S)-1-phenylethyl]benzamide
CID 1019458
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
5-bromo-2-(2-methoxyethoxy)-N-[4-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 43887620
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8931482
5-bromo-2-ethoxy-N-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17353296
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8931487
N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
CID 28558276

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide (CID 975653) is 5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide is CCOc1ccc(Br)cc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is MIKGXKORVQITLI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-3-21-16-10-9-14(18)11-15(16)17(20)19-12(2)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide?
5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.34, 5 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-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 975653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).