5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide

C15H14BrClN2O3S — CID 55512069

IUPAC5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccc(Br)s2)cc1Cl
InChIInChI=1S/C15H14BrClN2O3S/c1-22-11-4-2-9(8-10(11)17)3-7-14(20)18-19-15(21)12-5-6-13(16)23-12/h2,4-6,8H,3,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyCXPMGNVQIPXZCH-UHFFFAOYSA-N
MW417.71 g/mol
LogP3.57
Rot. Bonds5

About 5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide

5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide (PubChem CID 55512069) has the molecular formula C15H14BrClN2O3S and a molecular weight of 417.71 g/mol. Its IUPAC name is 5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
PubChem CID55512069
Molecular FormulaC15H14BrClN2O3S
Molecular Weight417.71 g/mol
Exact Mass415.96
IUPAC Name5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2ccc(Br)s2)cc1Cl
InChIInChI=1S/C15H14BrClN2O3S/c1-22-11-4-2-9(8-10(11)17)3-7-14(20)18-19-15(21)12-5-6-13(16)23-12/h2,4-6,8H,3,7H2,1H3,(H,18,20)(H,19,21)
InChIKeyCXPMGNVQIPXZCH-UHFFFAOYSA-N
XLogP3.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.71
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N'-[3-(4-methylphenyl)propanoyl]thiophene-2-carbohydrazide
CID 31950441
5-bromo-N'-(3-naphthalen-2-ylpropanoyl)thiophene-2-carbohydrazide
CID 55857705
N-[(5-bromothiophen-2-yl)methyl]-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 55512669
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]benzohydrazide
CID 35556165
5-bromo-N'-(3-ethoxy-4-methoxybenzoyl)thiophene-2-carbohydrazide
CID 31728509
N'-[3-(3-bromo-4-methoxyphenyl)propanoyl]-5-chloro-2-hydroxybenzohydrazide
CID 55585425
3-[4-[3-(3-chloro-4-methoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252525
3-(3-chloro-4-methoxyphenyl)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66109278
2-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-4-methoxybutanoic acid
CID 120703142
5-bromo-N'-[4-(methoxymethyl)benzoyl]thiophene-2-carbohydrazide
CID 8622553
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxypropanoate
CID 103957889
5-bromo-N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55833295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide (CID 55512069) is 5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide is COc1ccc(CCC(=O)NNC(=O)c2ccc(Br)s2)cc1Cl.
What is the InChIKey of 5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide?
The InChIKey is CXPMGNVQIPXZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O3S/c1-22-11-4-2-9(8-10(11)17)3-7-14(20)18-19-15(21)12-5-6-13(16)23-12/h2,4-6,8H,3,7H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide?
5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide has a molecular weight of 417.71 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-[3-(3-chloro-4-methoxyphenyl)propanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 55512069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).