N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide

C22H19BrN2O3 — CID 23876301

IUPACN-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-2-28-20-13-5-16(6-14-20)22(27)25-19-11-9-18(10-12-19)24-21(26)15-3-7-17(23)8-4-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyXJEYURIJFGYQBH-UHFFFAOYSA-N
MW439.31 g/mol
LogP5.35
Rot. Bonds6

About N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide

N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide (PubChem CID 23876301) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
PubChem CID23876301
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC NameN-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-2-28-20-13-5-16(6-14-20)22(27)25-19-11-9-18(10-12-19)24-21(26)15-3-7-17(23)8-4-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27)
InChIKeyXJEYURIJFGYQBH-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

[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
N-(4-bromo-3,5-dimethylphenyl)-4-ethoxybenzamide
CID 107574997

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide?
The IUPAC name of N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide (CID 23876301) is N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide?
The InChIKey is XJEYURIJFGYQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-2-28-20-13-5-16(6-14-20)22(27)25-19-11-9-18(10-12-19)24-21(26)15-3-7-17(23)8-4-15/h3-14H,2H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide?
N-[4-[(4-bromobenzoyl)amino]phenyl]-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-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide is sourced from PubChem (CID 23876301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).