3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide

C17H14Cl2N2O2 — CID 9475643

IUPAC3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-11-5-6-12(9-15(11)19)7-8-16(22)20-21-17(23)13-3-2-4-14(18)10-13/h2-10H,1H3,(H,20,22)(H,21,23)/b8-7+
InChIKeyPRVQMYMBISXNET-BQYQJAHWSA-N
MW349.22 g/mol
LogP3.78
Rot. Bonds3

About 3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide

3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 9475643) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide
PubChem CID9475643
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)c2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C17H14Cl2N2O2/c1-11-5-6-12(9-15(11)19)7-8-16(22)20-21-17(23)13-3-2-4-14(18)10-13/h2-10H,1H3,(H,20,22)(H,21,23)/b8-7+
InChIKeyPRVQMYMBISXNET-BQYQJAHWSA-N
XLogP3.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.78
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

3-chloro-N'-[(Z)-3-phenylprop-2-enoyl]benzohydrazide
CID 2166903
N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-3-chlorobenzohydrazide
CID 9475460
3-chloro-N'-[(E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoyl]benzohydrazide
CID 9428053
N'-(3-chlorobenzoyl)-3,4-dimethylbenzohydrazide
CID 7918365
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 8713168
1-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]-3-(4-chlorophenyl)thiourea
CID 9469023
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-(dimethylamino)benzohydrazide
CID 26184751
N'-[(E)-3-(5-bromothiophen-2-yl)prop-2-enoyl]-3-chlorobenzohydrazide
CID 9475553
3-chloro-N'-[3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]benzohydrazide
CID 4806020
(E)-3-(3-chloro-4-methylphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 78783784
N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 9220813
N-[[(3-chlorobenzoyl)amino]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3503690

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide (CID 9475643) is 3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide is Cc1ccc(/C=C/C(=O)NNC(=O)c2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is PRVQMYMBISXNET-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-11-5-6-12(9-15(11)19)7-8-16(22)20-21-17(23)13-3-2-4-14(18)10-13/h2-10H,1H3,(H,20,22)(H,21,23)/b8-7+.
What are the key properties of 3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide?
3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 349.22 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9475643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).