(E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide

C19H20BrN3O2 — CID 6013499

IUPAC(E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C(\C)NNC(=O)c1ccccc1Br
InChIInChI=1S/C19H20BrN3O2/c1-3-14-8-4-7-11-17(14)21-18(24)12-13(2)22-23-19(25)15-9-5-6-10-16(15)20/h4-12,22H,3H2,1-2H3,(H,21,24)(H,23,25)/b13-12+
InChIKeyGXYOVRMMWQFTLM-OUKQBFOZSA-N
MW402.29 g/mol
LogP3.79
Rot. Bonds6

About (E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide

(E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide (PubChem CID 6013499) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is (E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide
PubChem CID6013499
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name(E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide
SMILESCCc1ccccc1NC(=O)/C=C(\C)NNC(=O)c1ccccc1Br
InChIInChI=1S/C19H20BrN3O2/c1-3-14-8-4-7-11-17(14)21-18(24)12-13(2)22-23-19(25)15-9-5-6-10-16(15)20/h4-12,22H,3H2,1-2H3,(H,21,24)(H,23,25)/b13-12+
InChIKeyGXYOVRMMWQFTLM-OUKQBFOZSA-N
XLogP3.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.79
H-Bond Donors ≤ 53
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

1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
1-(2-ethylphenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 8000945
2-bromo-N'-[3-(2-fluorophenyl)but-2-enoyl]benzohydrazide
CID 103598513
2-[(2-bromobenzoyl)amino]-N-(4-ethylphenyl)benzamide
CID 1313742
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
N'-(2-ethylphenyl)but-2-enediamide
CID 131854117
2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide
CID 139171185
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
methyl 2-[(2-bromobenzoyl)amino]benzoate
CID 723592
2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide
CID 9399855
N,N'-bis(2-ethylphenyl)propanediamide
CID 3881876
(E)-3-(2-bromophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]prop-2-enamide
CID 40730718

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide?
The IUPAC name of (E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide (CID 6013499) is (E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide.
What is the SMILES notation for (E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide?
The canonical SMILES for (E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide is CCc1ccccc1NC(=O)/C=C(\C)NNC(=O)c1ccccc1Br.
What is the InChIKey of (E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide?
The InChIKey is GXYOVRMMWQFTLM-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-3-14-8-4-7-11-17(14)21-18(24)12-13(2)22-23-19(25)15-9-5-6-10-16(15)20/h4-12,22H,3H2,1-2H3,(H,21,24)(H,23,25)/b13-12+.
What are the key properties of (E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide?
(E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide has a molecular weight of 402.29 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide is sourced from PubChem (CID 6013499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).