N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide

C24H23BrN2O4 — CID 17356400

IUPACN-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1Br
InChIInChI=1S/C24H23BrN2O4/c1-30-13-14-31-22-12-11-18(15-20(22)25)23(28)27-21-10-6-5-9-19(21)24(29)26-16-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyKNBJJLGGOKAKRL-UHFFFAOYSA-N
MW483.36 g/mol
LogP4.66
Rot. Bonds9

About N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide

N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide (PubChem CID 17356400) has the molecular formula C24H23BrN2O4 and a molecular weight of 483.36 g/mol. Its IUPAC name is N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
PubChem CID17356400
Molecular FormulaC24H23BrN2O4
Molecular Weight483.36 g/mol
Exact Mass482.08
IUPAC NameN-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1Br
InChIInChI=1S/C24H23BrN2O4/c1-30-13-14-31-22-12-11-18(15-20(22)25)23(28)27-21-10-6-5-9-19(21)24(29)26-16-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyKNBJJLGGOKAKRL-UHFFFAOYSA-N
XLogP4.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.36
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)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

3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 17356398
3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17356314
N-[[2-(benzylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-propoxybenzamide
CID 17343077
3-bromo-4-(2-phenylethoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17072791
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812
3-bromo-4-(2-phenylethoxy)-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17072789
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17149395
N-[4-(benzylcarbamoyl)phenyl]-3-bromo-4-propoxybenzamide
CID 28639983
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
3-bromo-N-naphthalen-1-yl-4-(2-phenylethoxy)benzamide
CID 17072631
N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356979

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide?
The IUPAC name of N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide (CID 17356400) is N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1Br.
What is the InChIKey of N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide?
The InChIKey is KNBJJLGGOKAKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O4/c1-30-13-14-31-22-12-11-18(15-20(22)25)23(28)27-21-10-6-5-9-19(21)24(29)26-16-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide?
N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide has a molecular weight of 483.36 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17356400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).