3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide

C15H13BrN2O4 — CID 1191602

IUPAC3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)/C=C/c2ccco2)cc1Br
InChIInChI=1S/C15H13BrN2O4/c1-21-13-6-4-10(9-12(13)16)15(20)18-17-14(19)7-5-11-3-2-8-22-11/h2-9H,1H3,(H,17,19)(H,18,20)/b7-5+
InChIKeyMQHMXNBLRARALD-FNORWQNLSA-N
MW365.18 g/mol
LogP2.53
Rot. Bonds4

About 3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide

3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide (PubChem CID 1191602) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
PubChem CID1191602
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)/C=C/c2ccco2)cc1Br
InChIInChI=1S/C15H13BrN2O4/c1-21-13-6-4-10(9-12(13)16)15(20)18-17-14(19)7-5-11-3-2-8-22-11/h2-9H,1H3,(H,17,19)(H,18,20)/b7-5+
InChIKeyMQHMXNBLRARALD-FNORWQNLSA-N
XLogP2.53
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 4510593
(E)-N-(3-bromo-4-methoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 961103
N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 922444
3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide
CID 6120980
N'-[3-(furan-2-yl)prop-2-enoyl]-4-methylbenzohydrazide
CID 5254255
4-ethyl-N'-[3-(furan-2-yl)prop-2-enoyl]benzohydrazide
CID 78537225
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-3-(furan-2-yl)prop-2-enehydrazide
CID 4629485
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-4-methoxybenzoic acid
CID 17099408
2-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-4-methoxybenzoyl]amino]benzoate
CID 7372507
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
(E)-N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 27447138

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide (CID 1191602) is 3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)/C=C/c2ccco2)cc1Br.
What is the InChIKey of 3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide?
The InChIKey is MQHMXNBLRARALD-FNORWQNLSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c1-21-13-6-4-10(9-12(13)16)15(20)18-17-14(19)7-5-11-3-2-8-22-11/h2-9H,1H3,(H,17,19)(H,18,20)/b7-5+.
What are the key properties of 3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide?
3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide has a molecular weight of 365.18 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide is sourced from PubChem (CID 1191602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).