4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide

C23H24Br6N2O4 — CID 21452884

IUPAC4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
SMILESO=C(NCCCCCCCNC(=O)c1ccc(OC(Br)(Br)Br)cc1)c1ccc(OC(Br)(Br)Br)cc1
InChIInChI=1S/C23H24Br6N2O4/c24-22(25,26)34-18-10-6-16(7-11-18)20(32)30-14-4-2-1-3-5-15-31-21(33)17-8-12-19(13-9-17)35-23(27,28)29/h6-13H,1-5,14-15H2,(H,30,32)(H,31,33)
InChIKeyGXACKHAIHADENA-UHFFFAOYSA-N
MW871.88 g/mol
LogP8.15
Rot. Bonds12

About 4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide

4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide (PubChem CID 21452884) has the molecular formula C23H24Br6N2O4 and a molecular weight of 871.88 g/mol. Its IUPAC name is 4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide.

Molecular Properties

Compound Name4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
PubChem CID21452884
Molecular FormulaC23H24Br6N2O4
Molecular Weight871.88 g/mol
Exact Mass865.68
IUPAC Name4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide
SMILESO=C(NCCCCCCCNC(=O)c1ccc(OC(Br)(Br)Br)cc1)c1ccc(OC(Br)(Br)Br)cc1
InChIInChI=1S/C23H24Br6N2O4/c24-22(25,26)34-18-10-6-16(7-11-18)20(32)30-14-4-2-1-3-5-15-31-21(33)17-8-12-19(13-9-17)35-23(27,28)29/h6-13H,1-5,14-15H2,(H,30,32)(H,31,33)
InChIKeyGXACKHAIHADENA-UHFFFAOYSA-N
XLogP8.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.88
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[7-[(4-bromobenzoyl)amino]heptyl]-4-(trifluoromethoxy)benzamide
CID 54468916
N-(5-iodopentyl)-4-(trifluoromethoxy)benzamide
CID 107322364
N-(3-formamidopropyl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110464682
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-(7,7-dimethyloctyl)-4-methoxybenzamide
CID 168820142
4-(2-methylpropoxy)-N-[8-[[4-(2-methylpropoxy)benzoyl]amino]octyl]benzamide
CID 17233376
4-amino-N-[5-(4-aminophenoxy)pentyl]benzamide
CID 3026991
N-decyl-4-ethoxybenzamide
CID 4123784

Frequently Asked Questions

What is the IUPAC name of 4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide?
The IUPAC name of 4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide (CID 21452884) is 4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide.
What is the SMILES notation for 4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide?
The canonical SMILES for 4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide is O=C(NCCCCCCCNC(=O)c1ccc(OC(Br)(Br)Br)cc1)c1ccc(OC(Br)(Br)Br)cc1.
What is the InChIKey of 4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide?
The InChIKey is GXACKHAIHADENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Br6N2O4/c24-22(25,26)34-18-10-6-16(7-11-18)20(32)30-14-4-2-1-3-5-15-31-21(33)17-8-12-19(13-9-17)35-23(27,28)29/h6-13H,1-5,14-15H2,(H,30,32)(H,31,33).
What are the key properties of 4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide?
4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide has a molecular weight of 871.88 g/mol, XLogP of 8.15, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tribromomethoxy)-N-[7-[[4-(tribromomethoxy)benzoyl]amino]heptyl]benzamide is sourced from PubChem (CID 21452884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).