5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide

C17H13Cl3N2O3 — CID 9472211

IUPAC5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl3N2O3/c1-25-14-7-6-11(18)9-12(14)17(24)22-21-15(23)8-5-10-3-2-4-13(19)16(10)20/h2-9H,1H3,(H,21,23)(H,22,24)/b8-5+
InChIKeyFDSVOXXONZCJDQ-VMPITWQZSA-N
MW399.66 g/mol
LogP4.13
Rot. Bonds4

About 5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide

5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide (PubChem CID 9472211) has the molecular formula C17H13Cl3N2O3 and a molecular weight of 399.66 g/mol. Its IUPAC name is 5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
PubChem CID9472211
Molecular FormulaC17H13Cl3N2O3
Molecular Weight399.66 g/mol
Exact Mass398.00
IUPAC Name5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)/C=C/c1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl3N2O3/c1-25-14-7-6-11(18)9-12(14)17(24)22-21-15(23)8-5-10-3-2-4-13(19)16(10)20/h2-9H,1H3,(H,21,23)(H,22,24)/b8-5+
InChIKeyFDSVOXXONZCJDQ-VMPITWQZSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.66
LogP ≤ 54.13
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

5-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 24636069
2,6-dichloro-N'-(5-chloro-2-methoxybenzoyl)benzohydrazide
CID 78775260
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
5-chloro-N'-[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 9278532
N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide
CID 9339315
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849579
N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-5-chloro-2-methoxybenzohydrazide
CID 9085245
N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-4-fluorobenzohydrazide
CID 9340429
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
2-methoxy-N'-(3-naphthalen-1-ylprop-2-enoyl)benzohydrazide
CID 4922573

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide?
The IUPAC name of 5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide (CID 9472211) is 5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide.
What is the SMILES notation for 5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide?
The canonical SMILES for 5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)/C=C/c1cccc(Cl)c1Cl.
What is the InChIKey of 5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide?
The InChIKey is FDSVOXXONZCJDQ-VMPITWQZSA-N. The full InChI is InChI=1S/C17H13Cl3N2O3/c1-25-14-7-6-11(18)9-12(14)17(24)22-21-15(23)8-5-10-3-2-4-13(19)16(10)20/h2-9H,1H3,(H,21,23)(H,22,24)/b8-5+.
What are the key properties of 5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide?
5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide has a molecular weight of 399.66 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide is sourced from PubChem (CID 9472211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).