3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide

C18H17BrN2O3 — CID 6120980

IUPAC3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(C)cc2)cc1Br
InChIInChI=1S/C18H17BrN2O3/c1-12-3-5-13(6-4-12)7-10-17(22)20-21-18(23)14-8-9-16(24-2)15(19)11-14/h3-11H,1-2H3,(H,20,22)(H,21,23)/b10-7+
InChIKeySUUOLOWUJPHEOB-JXMROGBWSA-N
MW389.25 g/mol
LogP3.24
Rot. Bonds4

About 3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide

3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 6120980) has the molecular formula C18H17BrN2O3 and a molecular weight of 389.25 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide
PubChem CID6120980
Molecular FormulaC18H17BrN2O3
Molecular Weight389.25 g/mol
Exact Mass388.04
IUPAC Name3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)/C=C/c2ccc(C)cc2)cc1Br
InChIInChI=1S/C18H17BrN2O3/c1-12-3-5-13(6-4-12)7-10-17(22)20-21-18(23)14-8-9-16(24-2)15(19)11-14/h3-11H,1-2H3,(H,20,22)(H,21,23)/b10-7+
InChIKeySUUOLOWUJPHEOB-JXMROGBWSA-N
XLogP3.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.25
LogP ≤ 53.24
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

3-bromo-N'-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-methoxybenzohydrazide
CID 1191602
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 9475903
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075
3-iodo-4-methoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6118091
N'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 2672384
(E)-N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6117603
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
1-N',9-N'-bis(3-bromo-4-methoxybenzoyl)nonanedihydrazide
CID 5241473
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide
CID 4813315
(E)-3-(3-bromo-4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 1184644
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide (CID 6120980) is 3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)/C=C/c2ccc(C)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is SUUOLOWUJPHEOB-JXMROGBWSA-N. The full InChI is InChI=1S/C18H17BrN2O3/c1-12-3-5-13(6-4-12)7-10-17(22)20-21-18(23)14-8-9-16(24-2)15(19)11-14/h3-11H,1-2H3,(H,20,22)(H,21,23)/b10-7+.
What are the key properties of 3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide?
3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 389.25 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 6120980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).