4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane

C19H24ClIN2O2 — CID 145237054

IUPAC4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane
SMILESCCCCI.CN(NC(=O)c1ccc(Cl)cc1)C(=O)C1=CCCC=C1
InChIInChI=1S/C15H15ClN2O2.C4H9I/c1-18(15(20)12-5-3-2-4-6-12)17-14(19)11-7-9-13(16)10-8-11;1-2-3-4-5/h3,5-10H,2,4H2,1H3,(H,17,19);2-4H2,1H3
InChIKeyWEOPGODZOZSJMK-UHFFFAOYSA-N
MW474.77 g/mol
LogP4.94
Rot. Bonds4

About 4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane

4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane (PubChem CID 145237054) has the molecular formula C19H24ClIN2O2 and a molecular weight of 474.77 g/mol. Its IUPAC name is 4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane.

Molecular Properties

Compound Name4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane
PubChem CID145237054
Molecular FormulaC19H24ClIN2O2
Molecular Weight474.77 g/mol
Exact Mass474.06
IUPAC Name4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane
SMILESCCCCI.CN(NC(=O)c1ccc(Cl)cc1)C(=O)C1=CCCC=C1
InChIInChI=1S/C15H15ClN2O2.C4H9I/c1-18(15(20)12-5-3-2-4-6-12)17-14(19)11-7-9-13(16)10-8-11;1-2-3-4-5/h3,5-10H,2,4H2,1H3,(H,17,19);2-4H2,1H3
InChIKeyWEOPGODZOZSJMK-UHFFFAOYSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.77
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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butyl N-[3-[(4-chlorobenzoyl)amino]-2-hydroxypropyl]carbamate
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N'-tert-butyl-4-chloro-N'-non-2-ynoylbenzohydrazide
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4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
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CID 70294476

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane?
The IUPAC name of 4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane (CID 145237054) is 4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane.
What is the SMILES notation for 4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane?
The canonical SMILES for 4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane is CCCCI.CN(NC(=O)c1ccc(Cl)cc1)C(=O)C1=CCCC=C1.
What is the InChIKey of 4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane?
The InChIKey is WEOPGODZOZSJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2.C4H9I/c1-18(15(20)12-5-3-2-4-6-12)17-14(19)11-7-9-13(16)10-8-11;1-2-3-4-5/h3,5-10H,2,4H2,1H3,(H,17,19);2-4H2,1H3.
What are the key properties of 4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane?
4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane has a molecular weight of 474.77 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(cyclohexa-1,5-diene-1-carbonyl)-N'-methylbenzohydrazide;1-iodobutane is sourced from PubChem (CID 145237054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).