N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide

C22H19BrN2O3 — CID 1095399

IUPACN-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1Br
InChIInChI=1S/C22H19BrN2O3/c1-2-28-20-13-8-16(14-19(20)23)22(27)25-18-11-9-17(10-12-18)24-21(26)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyDTINGPKYLRIBCY-UHFFFAOYSA-N
MW439.31 g/mol
LogP5.35
Rot. Bonds6

About N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide

N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide (PubChem CID 1095399) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
PubChem CID1095399
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC NameN-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1Br
InChIInChI=1S/C22H19BrN2O3/c1-2-28-20-13-8-16(14-19(20)23)22(27)25-18-11-9-17(10-12-18)24-21(26)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyDTINGPKYLRIBCY-UHFFFAOYSA-N
XLogP5.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(3-bromo-4-ethoxybenzoyl)amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 17073921
3-bromo-4-ethoxy-N-(4-propoxyphenyl)benzamide
CID 17073835
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 1341426
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
N-[4-(benzylsulfamoyl)phenyl]-3-bromo-4-ethoxybenzamide
CID 17073799
3-bromo-4-ethoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123630
N-(4-anilinophenyl)-3-bromo-4-butoxybenzamide
CID 4955723
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914
N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
CID 28639983
3-bromo-4-ethoxy-N-[3-(naphthalen-1-ylcarbamoyl)phenyl]benzamide
CID 15998680
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-[4-[[(3-bromo-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17355526

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide?
The IUPAC name of N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide (CID 1095399) is N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide.
What is the SMILES notation for N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide?
The canonical SMILES for N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1Br.
What is the InChIKey of N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide?
The InChIKey is DTINGPKYLRIBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-2-28-20-13-8-16(14-19(20)23)22(27)25-18-11-9-17(10-12-18)24-21(26)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide?
N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide has a molecular weight of 439.31 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamidophenyl)-3-bromo-4-ethoxybenzamide is sourced from PubChem (CID 1095399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).