5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide

C23H22BrNO2 — CID 17046055

IUPAC5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide
SMILESCCN(C(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22BrNO2/c1-2-25(20-11-7-4-8-12-20)23(26)21-17-19(24)13-14-22(21)27-16-15-18-9-5-3-6-10-18/h3-14,17H,2,15-16H2,1H3
InChIKeyWCQILCQBQBWTNF-UHFFFAOYSA-N
MW424.34 g/mol
LogP5.74
Rot. Bonds7

About 5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide

5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide (PubChem CID 17046055) has the molecular formula C23H22BrNO2 and a molecular weight of 424.34 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide
PubChem CID17046055
Molecular FormulaC23H22BrNO2
Molecular Weight424.34 g/mol
Exact Mass423.08
IUPAC Name5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide
SMILESCCN(C(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22BrNO2/c1-2-25(20-11-7-4-8-12-20)23(26)21-17-19(24)13-14-22(21)27-16-15-18-9-5-3-6-10-18/h3-14,17H,2,15-16H2,1H3
InChIKeyWCQILCQBQBWTNF-UHFFFAOYSA-N
XLogP5.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072637
5-bromo-2-(2-phenylethoxy)benzoic acid
CID 16641240
N-benzyl-N-[2-[benzyl-[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046888
2,5-dibromo-N-ethyl-N-phenylbenzamide
CID 53352174
5-bromo-N-[2-[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]ethyl]-2-(2-phenylethoxy)benzamide
CID 17046885
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
N-benzyl-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046109
5-bromo-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17186882
5-bromo-N-[3-(diethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17194642
N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
CID 4956291
N-ethyl-N-phenyl-3-(2-phenylethoxy)benzamide
CID 17134260
3-bromo-N-[2-(N-[3-bromo-4-(2-phenylethoxy)benzoyl]anilino)ethyl]-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17073276

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide?
The IUPAC name of 5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide (CID 17046055) is 5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide?
The canonical SMILES for 5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide is CCN(C(=O)c1cc(Br)ccc1OCCc1ccccc1)c1ccccc1.
What is the InChIKey of 5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide?
The InChIKey is WCQILCQBQBWTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO2/c1-2-25(20-11-7-4-8-12-20)23(26)21-17-19(24)13-14-22(21)27-16-15-18-9-5-3-6-10-18/h3-14,17H,2,15-16H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide?
5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide has a molecular weight of 424.34 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17046055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).