(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate

C22H18BrNO4 — CID 1214009

IUPAC(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H18BrNO4/c1-27-20-12-6-16(7-13-20)21(25)24-19-10-4-17(5-11-19)22(26)28-14-15-2-8-18(23)9-3-15/h2-13H,14H2,1H3,(H,24,25)
InChIKeySTXVORNPYJPXHE-UHFFFAOYSA-N
MW440.29 g/mol
LogP5.07
Rot. Bonds6

About (4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate

(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate (PubChem CID 1214009) has the molecular formula C22H18BrNO4 and a molecular weight of 440.29 g/mol. Its IUPAC name is (4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
PubChem CID1214009
Molecular FormulaC22H18BrNO4
Molecular Weight440.29 g/mol
Exact Mass439.04
IUPAC Name(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C22H18BrNO4/c1-27-20-12-6-16(7-13-20)21(25)24-19-10-4-17(5-11-19)22(26)28-14-15-2-8-18(23)9-3-15/h2-13H,14H2,1H3,(H,24,25)
InChIKeySTXVORNPYJPXHE-UHFFFAOYSA-N
XLogP5.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 4-(carbamoylamino)benzoate
CID 24558009
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
(3-fluorophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 2224729
(4-bromophenyl)methyl 4-(methylamino)benzoate
CID 104698988
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2,5-dimethylfuran-3-carboxylate
CID 24557435
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
(4-bromophenyl)methyl 4-(4-methoxyanilino)-4-oxobutanoate
CID 1297481
[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-(methoxymethyl)benzoate
CID 36581277
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 5-nitrothiophene-2-carboxylate
CID 24557713
[2-(4-bromoanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488892
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate?
The IUPAC name of (4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate (CID 1214009) is (4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for (4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for (4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate is COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of (4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate?
The InChIKey is STXVORNPYJPXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrNO4/c1-27-20-12-6-16(7-13-20)21(25)24-19-10-4-17(5-11-19)22(26)28-14-15-2-8-18(23)9-3-15/h2-13H,14H2,1H3,(H,24,25).
What are the key properties of (4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate?
(4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate has a molecular weight of 440.29 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 4-[(4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 1214009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).