(5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide

C19H19BrN2O3 — CID 5388120

IUPAC(5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide
SMILESO=C(CCC/C(CC(=O)c1ccc(Br)cc1)=N/O)Nc1ccccc1
InChIInChI=1S/C19H19BrN2O3/c20-15-11-9-14(10-12-15)18(23)13-17(22-25)7-4-8-19(24)21-16-5-2-1-3-6-16/h1-3,5-6,9-12,25H,4,7-8,13H2,(H,21,24)/b22-17-
InChIKeyNYHLULSTEBJGGS-XLNRJJMWSA-N
MW403.28 g/mol
LogP4.66
Rot. Bonds8

About (5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide

(5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide (PubChem CID 5388120) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is (5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide.

Molecular Properties

Compound Name(5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide
PubChem CID5388120
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name(5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide
SMILESO=C(CCC/C(CC(=O)c1ccc(Br)cc1)=N/O)Nc1ccccc1
InChIInChI=1S/C19H19BrN2O3/c20-15-11-9-14(10-12-15)18(23)13-17(22-25)7-4-8-19(24)21-16-5-2-1-3-6-16/h1-3,5-6,9-12,25H,4,7-8,13H2,(H,21,24)/b22-17-
InChIKeyNYHLULSTEBJGGS-XLNRJJMWSA-N
XLogP4.66
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromophenyl)-3,5-dioxo-N-phenylpentanamide
CID 45103871
N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
CID 110423647
7-bromo-N-phenylheptanamide
CID 11266084
4-oxo-N,4-diphenylbutanamide
CID 825307
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N'-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 46945588
N,N'-bis[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 59542856
5,5-dibromo-N-phenylpentanamide
CID 174352057
4-(4-methylphenyl)-4-oxo-N-phenylbutanamide
CID 956933
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 52710157

Frequently Asked Questions

What is the IUPAC name of (5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide?
The IUPAC name of (5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide (CID 5388120) is (5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide.
What is the SMILES notation for (5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide?
The canonical SMILES for (5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide is O=C(CCC/C(CC(=O)c1ccc(Br)cc1)=N/O)Nc1ccccc1.
What is the InChIKey of (5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide?
The InChIKey is NYHLULSTEBJGGS-XLNRJJMWSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-15-11-9-14(10-12-15)18(23)13-17(22-25)7-4-8-19(24)21-16-5-2-1-3-6-16/h1-3,5-6,9-12,25H,4,7-8,13H2,(H,21,24)/b22-17-.
What are the key properties of (5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide?
(5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide has a molecular weight of 403.28 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide is sourced from PubChem (CID 5388120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).