2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide

C16H14BrN3O3 — CID 86932919

IUPAC2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide
SMILESCO/N=C/c1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H14BrN3O3/c1-23-18-10-11-6-8-12(9-7-11)15(21)19-20-16(22)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyHGOWKKNHDIWYSU-VCHYOVAHSA-N
MW376.21 g/mol
LogP2.50
Rot. Bonds4

About 2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide

2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide (PubChem CID 86932919) has the molecular formula C16H14BrN3O3 and a molecular weight of 376.21 g/mol. Its IUPAC name is 2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide
PubChem CID86932919
Molecular FormulaC16H14BrN3O3
Molecular Weight376.21 g/mol
Exact Mass375.02
IUPAC Name2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide
SMILESCO/N=C/c1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C16H14BrN3O3/c1-23-18-10-11-6-8-12(9-7-11)15(21)19-20-16(22)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKeyHGOWKKNHDIWYSU-VCHYOVAHSA-N
XLogP2.50
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78776174
4-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 134029250
N,N-diethyl-2-[[4-[(E)-methoxyiminomethyl]benzoyl]amino]benzamide
CID 86835481
N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide
CID 4924985
2-bromo-N-[4-[[(E)-(4-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 135510989
N-(2-amino-1-methoxy-2-oxoethyl)-4-(methoxyiminomethyl)benzamide
CID 54475671
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
CID 4950819
methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate
CID 27693462
2-bromo-N-[2-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 55358458
N-[4-[[(2-bromobenzoyl)amino]carbamoyl]phenyl]butanamide
CID 1011742
2-bromo-N-[1-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 3473498

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide?
The IUPAC name of 2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide (CID 86932919) is 2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide.
What is the SMILES notation for 2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide?
The canonical SMILES for 2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide is CO/N=C/c1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide?
The InChIKey is HGOWKKNHDIWYSU-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H14BrN3O3/c1-23-18-10-11-6-8-12(9-7-11)15(21)19-20-16(22)13-4-2-3-5-14(13)17/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+.
What are the key properties of 2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide?
2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide has a molecular weight of 376.21 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-[4-[(E)-methoxyiminomethyl]benzoyl]benzohydrazide is sourced from PubChem (CID 86932919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).