3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide

C27H19BrClFN2O3 — CID 43877944

IUPAC3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C27H19BrClFN2O3/c28-22-14-18(17-5-2-1-3-6-17)9-12-25(22)35-16-26(33)31-20-8-4-7-19(13-20)27(34)32-21-10-11-24(30)23(29)15-21/h1-15H,16H2,(H,31,33)(H,32,34)
InChIKeyCGYIGUCZHAPDTO-UHFFFAOYSA-N
MW553.82 g/mol
LogP7.18
Rot. Bonds7

About 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide

3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide (PubChem CID 43877944) has the molecular formula C27H19BrClFN2O3 and a molecular weight of 553.82 g/mol. Its IUPAC name is 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide
PubChem CID43877944
Molecular FormulaC27H19BrClFN2O3
Molecular Weight553.82 g/mol
Exact Mass552.03
IUPAC Name3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C27H19BrClFN2O3/c28-22-14-18(17-5-2-1-3-6-17)9-12-25(22)35-16-26(33)31-20-8-4-7-19(13-20)27(34)32-21-10-11-24(30)23(29)15-21/h1-15H,16H2,(H,31,33)(H,32,34)
InChIKeyCGYIGUCZHAPDTO-UHFFFAOYSA-N
XLogP7.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.82
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235437
2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230760
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164499
3-bromo-N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-4-propoxybenzamide
CID 26166839
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 25431218
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17222016
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893
2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4960694
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide?
The IUPAC name of 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide (CID 43877944) is 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide?
The canonical SMILES for 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide is O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide?
The InChIKey is CGYIGUCZHAPDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrClFN2O3/c28-22-14-18(17-5-2-1-3-6-17)9-12-25(22)35-16-26(33)31-20-8-4-7-19(13-20)27(34)32-21-10-11-24(30)23(29)15-21/h1-15H,16H2,(H,31,33)(H,32,34).
What are the key properties of 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide?
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide has a molecular weight of 553.82 g/mol, XLogP of 7.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 43877944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).