3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide

C20H23BrN2O3 — CID 17151300

IUPAC3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)CC)cc1Br
InChIInChI=1S/C20H23BrN2O3/c1-4-13(3)22-20(25)15-8-6-7-9-17(15)23-19(24)14-10-11-18(26-5-2)16(21)12-14/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyXMBQPCYSMWBXJM-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.63
Rot. Bonds7

About 3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide

3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide (PubChem CID 17151300) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide
PubChem CID17151300
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)CC)cc1Br
InChIInChI=1S/C20H23BrN2O3/c1-4-13(3)22-20(25)15-8-6-7-9-17(15)23-19(24)14-10-11-18(26-5-2)16(21)12-14/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyXMBQPCYSMWBXJM-UHFFFAOYSA-N
XLogP4.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
3-bromo-4-(2-phenylethoxy)-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17072789
3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17073804
3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide
CID 34556582
3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
CID 17355255
3-N-butan-2-yl-1-N-(2-ethoxyphenyl)benzene-1,3-dicarboxamide
CID 109051553
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide?
The IUPAC name of 3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide (CID 17151300) is 3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide.
What is the SMILES notation for 3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide?
The canonical SMILES for 3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)CC)cc1Br.
What is the InChIKey of 3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide?
The InChIKey is XMBQPCYSMWBXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-4-13(3)22-20(25)15-8-6-7-9-17(15)23-19(24)14-10-11-18(26-5-2)16(21)12-14/h6-13H,4-5H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide?
3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide has a molecular weight of 419.32 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide is sourced from PubChem (CID 17151300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).