2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide

C21H25BrN2O4 — CID 142976467

IUPAC2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(CCCCCCC(=O)NO)C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C21H25BrN2O4/c1-28-17-13-11-16(12-14-17)24(15-7-3-2-4-10-20(25)23-27)21(26)18-8-5-6-9-19(18)22/h5-6,8-9,11-14,27H,2-4,7,10,15H2,1H3,(H,23,25)
InChIKeyJBAXKULBDTUVAN-UHFFFAOYSA-N
MW449.35 g/mol
LogP4.56
Rot. Bonds10

About 2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide

2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide (PubChem CID 142976467) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is 2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide
PubChem CID142976467
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC Name2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(N(CCCCCCC(=O)NO)C(=O)c2ccccc2Br)cc1
InChIInChI=1S/C21H25BrN2O4/c1-28-17-13-11-16(12-14-17)24(15-7-3-2-4-10-20(25)23-27)21(26)18-8-5-6-9-19(18)22/h5-6,8-9,11-14,27H,2-4,7,10,15H2,1H3,(H,23,25)
InChIKeyJBAXKULBDTUVAN-UHFFFAOYSA-N
XLogP4.56
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
CID 11372956
7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide
CID 142976543
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
CID 53340782
2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 9094853
N-(4-methoxyphenyl)-N-[3-(methylamino)propyl]benzamide
CID 14872039
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
N-hydroxy-7-[4-(1H-indol-6-yl)-N-[(4-methoxyphenyl)carbamoyl]anilino]heptanamide
CID 58074153
N-hydroxy-8-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]octanamide
CID 25226359
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
CID 14872044
N-hydroxy-N'-(4-methoxyphenyl)-N'-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]octanediamide
CID 155524459

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide (CID 142976467) is 2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide is COc1ccc(N(CCCCCCC(=O)NO)C(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is JBAXKULBDTUVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-28-17-13-11-16(12-14-17)24(15-7-3-2-4-10-20(25)23-27)21(26)18-8-5-6-9-19(18)22/h5-6,8-9,11-14,27H,2-4,7,10,15H2,1H3,(H,23,25).
What are the key properties of 2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide?
2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 449.35 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 142976467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).