N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide

C14H10Br4N2O — CID 43126391

IUPACN-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide
SMILESO=C(CNc1c(Br)cc(Br)cc1Br)Nc1cccc(Br)c1
InChIInChI=1S/C14H10Br4N2O/c15-8-2-1-3-10(4-8)20-13(21)7-19-14-11(17)5-9(16)6-12(14)18/h1-6,19H,7H2,(H,20,21)
InChIKeyCQKUIVIMCKIXMK-UHFFFAOYSA-N
MW541.86 g/mol
LogP5.79
Rot. Bonds4

About N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide

N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide (PubChem CID 43126391) has the molecular formula C14H10Br4N2O and a molecular weight of 541.86 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide
PubChem CID43126391
Molecular FormulaC14H10Br4N2O
Molecular Weight541.86 g/mol
Exact Mass537.75
IUPAC NameN-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide
SMILESO=C(CNc1c(Br)cc(Br)cc1Br)Nc1cccc(Br)c1
InChIInChI=1S/C14H10Br4N2O/c15-8-2-1-3-10(4-8)20-13(21)7-19-14-11(17)5-9(16)6-12(14)18/h1-6,19H,7H2,(H,20,21)
InChIKeyCQKUIVIMCKIXMK-UHFFFAOYSA-N
XLogP5.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.86
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
2-(2,6-dibromo-4-methylanilino)-N-phenylacetamide
CID 28887968
2-(2-bromo-5-chloroanilino)-N-(3-bromophenyl)acetamide
CID 81281124
2-(2-bromo-4-chloroanilino)-N-(3-bromophenyl)acetamide
CID 81271166
N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 28515380
2-(3-bromoanilino)-N-(4-chlorophenyl)acetamide
CID 9080372
2-(3-bromoanilino)-N-(4-iodophenyl)acetamide
CID 26416177
3-[[2-(3-bromoanilino)acetyl]amino]-N-methylbenzamide
CID 33159048
N-(3-bromophenyl)-2-(4-cyanoanilino)acetamide
CID 26437461
N-[3-[[2-(3-bromoanilino)acetyl]amino]phenyl]benzamide
CID 54840105
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide (CID 43126391) is N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide is O=C(CNc1c(Br)cc(Br)cc1Br)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide?
The InChIKey is CQKUIVIMCKIXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br4N2O/c15-8-2-1-3-10(4-8)20-13(21)7-19-14-11(17)5-9(16)6-12(14)18/h1-6,19H,7H2,(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide?
N-(3-bromophenyl)-2-(2,4,6-tribromoanilino)acetamide has a molecular weight of 541.86 g/mol, XLogP of 5.79, 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-(2,4,6-tribromoanilino)acetamide is sourced from PubChem (CID 43126391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).