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

C17H15ClN2O2 — CID 9339631

IUPAC2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCc1ccccc1/C=C/C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-12-6-2-3-7-13(12)10-11-16(21)19-20-17(22)14-8-4-5-9-15(14)18/h2-11H,1H3,(H,19,21)(H,20,22)/b11-10+
InChIKeyBSPYXKGHZPBRMB-ZHACJKMWSA-N
MW314.77 g/mol
LogP3.12
Rot. Bonds3

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

2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 9339631) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
PubChem CID9339631
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCc1ccccc1/C=C/C(=O)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-12-6-2-3-7-13(12)10-11-16(21)19-20-17(22)14-8-4-5-9-15(14)18/h2-11H,1H3,(H,19,21)(H,20,22)/b11-10+
InChIKeyBSPYXKGHZPBRMB-ZHACJKMWSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.12
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

2-chloro-N'-[3-(5-methylfuran-2-yl)prop-2-enoyl]benzohydrazide
CID 932790
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314013
2-chloro-N'-[(E)-3-(4-ethylphenyl)prop-2-enoyl]benzohydrazide
CID 9037519
4-[(E)-3-[2-(2-chlorobenzoyl)hydrazinyl]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134061962
N'-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]-2-chlorobenzohydrazide
CID 9339315
ethyl (Z)-4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobut-2-enoate
CID 98076020
3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9496126
N'-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 9220813
2-chloro-N'-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 35930069
4-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]benzohydrazide
CID 6133133
N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314775
5-chloro-N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-methoxybenzohydrazide
CID 24636069

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide (CID 9339631) is 2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide is Cc1ccccc1/C=C/C(=O)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is BSPYXKGHZPBRMB-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-12-6-2-3-7-13(12)10-11-16(21)19-20-17(22)14-8-4-5-9-15(14)18/h2-11H,1H3,(H,19,21)(H,20,22)/b11-10+.
What are the key properties of 2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 314.77 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9339631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).