5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide

C32H38Br2N2O4 — CID 17344071

IUPAC5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2OCCCCCC)cc1
InChIInChI=1S/C32H38Br2N2O4/c1-3-5-7-9-19-39-29-17-11-23(33)21-27(29)31(37)35-25-13-15-26(16-14-25)36-32(38)28-22-24(34)12-18-30(28)40-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyYYHWDMDNJULHKC-UHFFFAOYSA-N
MW674.47 g/mol
LogP9.63
Rot. Bonds16

About 5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide

5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide (PubChem CID 17344071) has the molecular formula C32H38Br2N2O4 and a molecular weight of 674.47 g/mol. Its IUPAC name is 5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
PubChem CID17344071
Molecular FormulaC32H38Br2N2O4
Molecular Weight674.47 g/mol
Exact Mass672.12
IUPAC Name5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2OCCCCCC)cc1
InChIInChI=1S/C32H38Br2N2O4/c1-3-5-7-9-19-39-29-17-11-23(33)21-27(29)31(37)35-25-13-15-26(16-14-25)36-32(38)28-22-24(34)12-18-30(28)40-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyYYHWDMDNJULHKC-UHFFFAOYSA-N
XLogP9.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.47
LogP ≤ 59.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
5-bromo-2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642686
5-bromo-2-hexoxy-N-(4-nitrophenyl)benzamide
CID 17343379
N-(3-acetamidophenyl)-5-bromo-2-hexoxybenzamide
CID 17189846
5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide
CID 17196231
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411
5-bromo-N-[4-(butan-2-ylcarbamoyl)phenyl]-2-hexoxybenzamide
CID 17201327
5-bromo-N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2-hexoxybenzamide
CID 46760470
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17343418
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
5-bromo-2-butoxy-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17235078

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide?
The IUPAC name of 5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide (CID 17344071) is 5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide.
What is the SMILES notation for 5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide?
The canonical SMILES for 5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide is CCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)c2cc(Br)ccc2OCCCCCC)cc1.
What is the InChIKey of 5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide?
The InChIKey is YYHWDMDNJULHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38Br2N2O4/c1-3-5-7-9-19-39-29-17-11-23(33)21-27(29)31(37)35-25-13-15-26(16-14-25)36-32(38)28-22-24(34)12-18-30(28)40-20-10-8-6-4-2/h11-18,21-22H,3-10,19-20H2,1-2H3,(H,35,37)(H,36,38).
What are the key properties of 5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide?
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide has a molecular weight of 674.47 g/mol, XLogP of 9.63, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide is sourced from PubChem (CID 17344071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).