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

C23H21BrN2O4 — CID 17356314

IUPAC3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1Br
InChIInChI=1S/C23H21BrN2O4/c1-29-13-14-30-21-12-11-16(15-19(21)24)22(27)26-20-10-6-5-9-18(20)23(28)25-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyDIQQKCRWWLYLIU-UHFFFAOYSA-N
MW469.34 g/mol
LogP4.98
Rot. Bonds8

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

3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide (PubChem CID 17356314) has the molecular formula C23H21BrN2O4 and a molecular weight of 469.34 g/mol. Its IUPAC name is 3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
PubChem CID17356314
Molecular FormulaC23H21BrN2O4
Molecular Weight469.34 g/mol
Exact Mass468.07
IUPAC Name3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
SMILESCOCCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1Br
InChIInChI=1S/C23H21BrN2O4/c1-29-13-14-30-21-12-11-16(15-19(21)24)22(27)26-20-10-6-5-9-18(20)23(28)25-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyDIQQKCRWWLYLIU-UHFFFAOYSA-N
XLogP4.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-3-bromo-4-propoxybenzamide
CID 17342800
N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356400
3-bromo-4-(2-methoxyethoxy)-N-[4-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 17251662
3-bromo-4-(2-methoxyethoxy)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 17356398
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
3-bromo-4-(3-methylbutoxy)-N-[[2-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17339613
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
3-bromo-4-butoxy-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]benzamide
CID 4955844
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-4-(2-methoxyethoxy)-N-[[3-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 54781343

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide (CID 17356314) is 3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide is COCCOc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide?
The InChIKey is DIQQKCRWWLYLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O4/c1-29-13-14-30-21-12-11-16(15-19(21)24)22(27)26-20-10-6-5-9-18(20)23(28)25-17-7-3-2-4-8-17/h2-12,15H,13-14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide?
3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide has a molecular weight of 469.34 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17356314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).