2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide

C22H19BrN2O4 — CID 26522460

IUPAC2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)c1
InChIInChI=1S/C22H19BrN2O4/c1-28-16-11-12-18(23)17(13-16)22(27)24-15-9-7-14(8-10-15)21(26)25-19-5-3-4-6-20(19)29-2/h3-13H,1-2H3,(H,24,27)(H,25,26)
InChIKeyKPERRIOGBWRMFM-UHFFFAOYSA-N
MW455.31 g/mol
LogP4.97
Rot. Bonds6

About 2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide

2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide (PubChem CID 26522460) has the molecular formula C22H19BrN2O4 and a molecular weight of 455.31 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
PubChem CID26522460
Molecular FormulaC22H19BrN2O4
Molecular Weight455.31 g/mol
Exact Mass454.05
IUPAC Name2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)c1
InChIInChI=1S/C22H19BrN2O4/c1-28-16-11-12-18(23)17(13-16)22(27)24-15-9-7-14(8-10-15)21(26)25-19-5-3-4-6-20(19)29-2/h3-13H,1-2H3,(H,24,27)(H,25,26)
InChIKeyKPERRIOGBWRMFM-UHFFFAOYSA-N
XLogP4.97
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide 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

2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55865424
2-bromo-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 3704326
N-(3-acetamido-4-methoxyphenyl)-2-bromo-5-methoxybenzamide
CID 33309581
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethylbenzamide
CID 9245041
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
2-bromo-5-methoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 51218207
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide (CID 26522460) is 2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide is COc1ccc(Br)c(C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
The InChIKey is KPERRIOGBWRMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O4/c1-28-16-11-12-18(23)17(13-16)22(27)24-15-9-7-14(8-10-15)21(26)25-19-5-3-4-6-20(19)29-2/h3-13H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide?
2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide has a molecular weight of 455.31 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 26522460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).