N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide

C17H14BrClN2O3 — CID 9339315

IUPACN'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide
SMILESCOc1ccc(Br)cc1/C=C/C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H14BrClN2O3/c1-24-15-8-7-12(18)10-11(15)6-9-16(22)20-21-17(23)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,20,22)(H,21,23)/b9-6+
InChIKeyFUCYAWRRGCLSNR-RMKNXTFCSA-N
MW409.67 g/mol
LogP3.59
Rot. Bonds4

About N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide

N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide (PubChem CID 9339315) has the molecular formula C17H14BrClN2O3 and a molecular weight of 409.67 g/mol. Its IUPAC name is N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide
PubChem CID9339315
Molecular FormulaC17H14BrClN2O3
Molecular Weight409.67 g/mol
Exact Mass407.99
IUPAC NameN'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide
SMILESCOc1ccc(Br)cc1/C=C/C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H14BrClN2O3/c1-24-15-8-7-12(18)10-11(15)6-9-16(22)20-21-17(23)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,20,22)(H,21,23)/b9-6+
InChIKeyFUCYAWRRGCLSNR-RMKNXTFCSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.67
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-2-methoxyphenyl]-2-chlorobenzamide
CID 17117615
N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 40723054
5-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 24636069
3-(5-bromo-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 4989613
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 1116370
5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 9472211
2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzoic acid
CID 6133625
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55461391
2-chloro-N'-[(E)-3-(3-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 35929315
(E)-3-(5-bromo-2-methoxyphenyl)-1-(2,4-dihydroxyphenyl)prop-2-en-1-one
CID 19540764
(E)-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2248694

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide?
The IUPAC name of N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide (CID 9339315) is N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide?
The canonical SMILES for N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide is COc1ccc(Br)cc1/C=C/C(=O)NNC(=O)c1ccccc1Cl.
What is the InChIKey of N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide?
The InChIKey is FUCYAWRRGCLSNR-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H14BrClN2O3/c1-24-15-8-7-12(18)10-11(15)6-9-16(22)20-21-17(23)13-4-2-3-5-14(13)19/h2-10H,1H3,(H,20,22)(H,21,23)/b9-6+.
What are the key properties of N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide?
N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide has a molecular weight of 409.67 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide is sourced from PubChem (CID 9339315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).