3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide

C18H20BrNO3 — CID 17355255

IUPAC3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC(C)C)c(Br)c1
InChIInChI=1S/C18H20BrNO3/c1-4-22-17-8-6-5-7-15(17)20-18(21)13-9-10-16(14(19)11-13)23-12(2)3/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyZQYSRKWVHYKYCC-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.89
Rot. Bonds6

About 3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide

3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide (PubChem CID 17355255) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
PubChem CID17355255
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(OC(C)C)c(Br)c1
InChIInChI=1S/C18H20BrNO3/c1-4-22-17-8-6-5-7-15(17)20-18(21)13-9-10-16(14(19)11-13)23-12(2)3/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyZQYSRKWVHYKYCC-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130977
4-ethoxy-3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 86938124
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
CID 119180523
3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17151300
3-bromo-4-ethoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074107
3-bromo-N-[2-(2-ethoxyethoxy)phenyl]-4-methoxybenzamide
CID 17134058
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
CID 1095399
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
1-N,3-N-bis(2-ethoxyphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 141155437

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide (CID 17355255) is 3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide is CCOc1ccccc1NC(=O)c1ccc(OC(C)C)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide?
The InChIKey is ZQYSRKWVHYKYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-4-22-17-8-6-5-7-15(17)20-18(21)13-9-10-16(14(19)11-13)23-12(2)3/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of 3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide?
3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide has a molecular weight of 378.27 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 17355255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).