N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide

C14H10BrCl3N2O — CID 28515380

IUPACN-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(Br)c1
InChIInChI=1S/C14H10BrCl3N2O/c15-8-2-1-3-9(4-8)20-14(21)7-19-13-6-11(17)10(16)5-12(13)18/h1-6,19H,7H2,(H,20,21)
InChIKeyIZYKGMYMJSNACC-UHFFFAOYSA-N
MW408.51 g/mol
LogP5.46
Rot. Bonds4

About N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide

N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide (PubChem CID 28515380) has the molecular formula C14H10BrCl3N2O and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
PubChem CID28515380
Molecular FormulaC14H10BrCl3N2O
Molecular Weight408.51 g/mol
Exact Mass405.90
IUPAC NameN-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(Br)c1
InChIInChI=1S/C14H10BrCl3N2O/c15-8-2-1-3-9(4-8)20-14(21)7-19-13-6-11(17)10(16)5-12(13)18/h1-6,19H,7H2,(H,20,21)
InChIKeyIZYKGMYMJSNACC-UHFFFAOYSA-N
XLogP5.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29046314
N-[3-[[2-(2,4,5-trichloroanilino)acetyl]amino]phenyl]butanamide
CID 54816397
2-(2-bromo-5-chloroanilino)-N-(3-bromophenyl)acetamide
CID 81281124
2-(2-bromo-4-chloroanilino)-N-(3-bromophenyl)acetamide
CID 81271166
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
2-(5-bromo-2-chloroanilino)-N-(3-fluorophenyl)acetamide
CID 62914693
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54831443
N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide
CID 43126391

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide (CID 28515380) is N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide is O=C(CNc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide?
The InChIKey is IZYKGMYMJSNACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3N2O/c15-8-2-1-3-9(4-8)20-14(21)7-19-13-6-11(17)10(16)5-12(13)18/h1-6,19H,7H2,(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide?
N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide has a molecular weight of 408.51 g/mol, XLogP of 5.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide is sourced from PubChem (CID 28515380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).