N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide

C17H16BrClN2O4 — CID 55585425

IUPACN'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2cc(Cl)ccc2O)cc1Br
InChIInChI=1S/C17H16BrClN2O4/c1-25-15-6-2-10(8-13(15)18)3-7-16(23)20-21-17(24)12-9-11(19)4-5-14(12)22/h2,4-6,8-9,22H,3,7H2,1H3,(H,20,23)(H,21,24)
InChIKeyWBNATEADPPFMOU-UHFFFAOYSA-N
MW427.68 g/mol
LogP3.21
Rot. Bonds5

About N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide

N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide (PubChem CID 55585425) has the molecular formula C17H16BrClN2O4 and a molecular weight of 427.68 g/mol. Its IUPAC name is N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide
PubChem CID55585425
Molecular FormulaC17H16BrClN2O4
Molecular Weight427.68 g/mol
Exact Mass426.00
IUPAC NameN'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2cc(Cl)ccc2O)cc1Br
InChIInChI=1S/C17H16BrClN2O4/c1-25-15-6-2-10(8-13(15)18)3-7-16(23)20-21-17(24)12-9-11(19)4-5-14(12)22/h2,4-6,8-9,22H,3,7H2,1H3,(H,20,23)(H,21,24)
InChIKeyWBNATEADPPFMOU-UHFFFAOYSA-N
XLogP3.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.68
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide
CID 35556165
N-(3-bromo-4-methoxyphenyl)-5-chloro-2-hydroxybenzamide
CID 63998623
3-(3-bromo-4-methoxyphenyl)-N-(5-chloro-2-pyridinyl)propanamide
CID 43054897
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
5-chloro-N'-[3-(2-chlorophenyl)propanoyl]-2-methoxybenzohydrazide
CID 36915541
3-(3-bromo-4-methoxyphenyl)-N-(1,3-dihydroxypropan-2-yl)propanamide
CID 65315523
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771242
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
2-(3-bromo-4-methoxyphenyl)-1-(2,5-dichlorophenyl)ethanone
CID 114964656
5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
CID 55512069
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 35677956

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide?
The IUPAC name of N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide (CID 55585425) is N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide is COc1ccc(CCC(=O)NNC(=O)c2cc(Cl)ccc2O)cc1Br.
What is the InChIKey of N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide?
The InChIKey is WBNATEADPPFMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O4/c1-25-15-6-2-10(8-13(15)18)3-7-16(23)20-21-17(24)12-9-11(19)4-5-14(12)22/h2,4-6,8-9,22H,3,7H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide?
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide has a molecular weight of 427.68 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide is sourced from PubChem (CID 55585425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).