2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide

C26H27BrN2O2 — CID 70016499

IUPAC2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide
SMILESNC(=O)C(CCCCCC(=O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1N
InChIInChI=1S/C26H27BrN2O2/c27-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25(30)9-3-1-2-7-23(26(29)31)22-6-4-5-8-24(22)28/h4-6,8,10-17,23H,1-3,7,9,28H2,(H2,29,31)
InChIKeyZWXBXVUJBJAFHQ-UHFFFAOYSA-N
MW479.42 g/mol
LogP6.10
Rot. Bonds10

About 2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide

2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide (PubChem CID 70016499) has the molecular formula C26H27BrN2O2 and a molecular weight of 479.42 g/mol. Its IUPAC name is 2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide
PubChem CID70016499
Molecular FormulaC26H27BrN2O2
Molecular Weight479.42 g/mol
Exact Mass478.13
IUPAC Name2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide
SMILESNC(=O)C(CCCCCC(=O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1N
InChIInChI=1S/C26H27BrN2O2/c27-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25(30)9-3-1-2-7-23(26(29)31)22-6-4-5-8-24(22)28/h4-6,8,10-17,23H,1-3,7,9,28H2,(H2,29,31)
InChIKeyZWXBXVUJBJAFHQ-UHFFFAOYSA-N
XLogP6.10
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.42
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)octanamide
CID 141183798
2-(benzenesulfonyl)-5-(4-bromophenyl)-5-oxopentanamide
CID 2766967
2-methyl-7-oxo-7-phenylheptanamide
CID 141075090
(2S)-2-amino-6-(4-bromophenyl)-6-oxohexanoic acid
CID 106702640
1-[4-(4-bromophenyl)phenyl]-4-(dimethylamino)butan-1-one chloride
CID 57388918
(1R)-1-(4-bromophenyl)hexan-1-ol;1-(4-bromophenyl)hexan-1-one
CID 159543054
1,15-diphenylpentadecane-1,15-dione
CID 159981687
1-[4-(4-bromobenzoyl)phenyl]nonan-1-one
CID 158169375
ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one
CID 142964448
9-amino-1-(4-phenylphenyl)nonane-1,4-dione
CID 58554687
1-(4-bromophenyl)-4-fluorobutan-1-one
CID 67476935
18-methyl-1-phenylnonadecan-1-one
CID 141198244

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide?
The IUPAC name of 2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide (CID 70016499) is 2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide.
What is the SMILES notation for 2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide?
The canonical SMILES for 2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide is NC(=O)C(CCCCCC(=O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide?
The InChIKey is ZWXBXVUJBJAFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27BrN2O2/c27-21-16-14-19(15-17-21)18-10-12-20(13-11-18)25(30)9-3-1-2-7-23(26(29)31)22-6-4-5-8-24(22)28/h4-6,8,10-17,23H,1-3,7,9,28H2,(H2,29,31).
What are the key properties of 2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide?
2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide has a molecular weight of 479.42 g/mol, XLogP of 6.10, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-8-[4-(4-bromophenyl)phenyl]-8-oxooctanamide is sourced from PubChem (CID 70016499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).