5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

C19H22BrNO3 — CID 2214920

IUPAC5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H22BrNO3/c1-4-23-18-10-7-15(20)11-17(18)19(22)21-12-14-5-8-16(9-6-14)24-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,22)
InChIKeyKFSNZOBPKRGNTF-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.57
Rot. Bonds7

About 5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide

5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 2214920) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID2214920
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
SMILESCCOc1ccc(Br)cc1C(=O)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C19H22BrNO3/c1-4-23-18-10-7-15(20)11-17(18)19(22)21-12-14-5-8-16(9-6-14)24-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,22)
InChIKeyKFSNZOBPKRGNTF-UHFFFAOYSA-N
XLogP4.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
5-bromo-2-butoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911267
5-bromo-2-butoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230348
3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 100564569
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911235
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783682
5-bromo-2-ethoxy-N-[(3-propan-2-yloxyphenyl)carbamothioyl]benzamide
CID 17154923
5-bromo-2-(2-phenylethoxy)-N-(4-propan-2-yloxyphenyl)benzamide
CID 17046227
5-(3-bromophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824478
5-bromo-2-butoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 54776790

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide (CID 2214920) is 5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is CCOc1ccc(Br)cc1C(=O)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is KFSNZOBPKRGNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-4-23-18-10-7-15(20)11-17(18)19(22)21-12-14-5-8-16(9-6-14)24-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,22).
What are the key properties of 5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide?
5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 392.29 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 2214920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).