N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide

C16H12Cl2N2O2 — CID 9414855

IUPACN'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)NNC(=O)c1ccccc1
InChIInChI=1S/C16H12Cl2N2O2/c17-13-7-4-8-14(18)12(13)9-10-15(21)19-20-16(22)11-5-2-1-3-6-11/h1-10H,(H,19,21)(H,20,22)/b10-9+
InChIKeyRRUODHAOIMNCEL-MDZDMXLPSA-N
MW335.19 g/mol
LogP3.47
Rot. Bonds3

About N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide

N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide (PubChem CID 9414855) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
PubChem CID9414855
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC NameN'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)NNC(=O)c1ccccc1
InChIInChI=1S/C16H12Cl2N2O2/c17-13-7-4-8-14(18)12(13)9-10-15(21)19-20-16(22)11-5-2-1-3-6-11/h1-10H,(H,19,21)(H,20,22)/b10-9+
InChIKeyRRUODHAOIMNCEL-MDZDMXLPSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-4-ethoxybenzohydrazide
CID 9492707
4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
CID 6133133
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethylbenzohydrazide
CID 9377264
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 9340429
N'-[3-(2-chlorophenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 4628576
N-[4-[[3-(2-chlorophenyl)prop-2-enoylamino]carbamoyl]phenyl]acetamide
CID 4506938
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-4-ethoxybenzohydrazide
CID 9327654
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
N'-[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]-3,4,5-trimethoxybenzohydrazide
CID 9273647
N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]benzohydrazide
CID 6071604

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide (CID 9414855) is N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide is O=C(/C=C/c1c(Cl)cccc1Cl)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is RRUODHAOIMNCEL-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-13-7-4-8-14(18)12(13)9-10-15(21)19-20-16(22)11-5-2-1-3-6-11/h1-10H,(H,19,21)(H,20,22)/b10-9+.
What are the key properties of N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide?
N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 335.19 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9414855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).