N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide

C19H21BrN2O — CID 101191316

IUPACN'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide
SMILESC=C[C@H](C)[C@@](C)(NNC(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O/c1-4-14(2)19(3,16-10-12-17(20)13-11-16)22-21-18(23)15-8-6-5-7-9-15/h4-14,22H,1H2,2-3H3,(H,21,23)/t14-,19+/m0/s1
InChIKeyDYXJSYXYJPHPIC-IFXJQAMLSA-N
MW373.29 g/mol
LogP4.42
Rot. Bonds6

About N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide

N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide (PubChem CID 101191316) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide
PubChem CID101191316
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC NameN'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide
SMILESC=C[C@H](C)[C@@](C)(NNC(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O/c1-4-14(2)19(3,16-10-12-17(20)13-11-16)22-21-18(23)15-8-6-5-7-9-15/h4-14,22H,1H2,2-3H3,(H,21,23)/t14-,19+/m0/s1
InChIKeyDYXJSYXYJPHPIC-IFXJQAMLSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide?
The IUPAC name of N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide (CID 101191316) is N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide.
What is the SMILES notation for N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide?
The canonical SMILES for N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide is C=C[C@H](C)[C@@](C)(NNC(=O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide?
The InChIKey is DYXJSYXYJPHPIC-IFXJQAMLSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-4-14(2)19(3,16-10-12-17(20)13-11-16)22-21-18(23)15-8-6-5-7-9-15/h4-14,22H,1H2,2-3H3,(H,21,23)/t14-,19+/m0/s1.
What are the key properties of N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide?
N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide has a molecular weight of 373.29 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R,3S)-2-(4-bromophenyl)-3-methylpent-4-en-2-yl]benzohydrazide is sourced from PubChem (CID 101191316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).