4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide

C17H15ClN2O3 — CID 6033190

IUPAC4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide
SMILESCOc1cccc(C(=O)/C=C/NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN2O3/c1-23-15-4-2-3-13(11-15)16(21)9-10-19-20-17(22)12-5-7-14(18)8-6-12/h2-11,19H,1H3,(H,20,22)/b10-9+
InChIKeyXLUPQQYCPVDOMA-MDZDMXLPSA-N
MW330.77 g/mol
LogP2.98
Rot. Bonds6

About 4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide

4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide (PubChem CID 6033190) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide
PubChem CID6033190
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide
SMILESCOc1cccc(C(=O)/C=C/NNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN2O3/c1-23-15-4-2-3-13(11-15)16(21)9-10-19-20-17(22)12-5-7-14(18)8-6-12/h2-11,19H,1H3,(H,20,22)/b10-9+
InChIKeyXLUPQQYCPVDOMA-MDZDMXLPSA-N
XLogP2.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-1-(4-chlorophenyl)-3-[4-(3-methoxyphenoxy)anilino]prop-2-en-1-one
CID 6306090
(E)-3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 7784056
3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 78541367
N'-[(Z)-3-(3-bromophenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 5369633
(E)-3-(2,4-difluoroanilino)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2179083
N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031
N'-(4-aminobenzoyl)-3-methoxybenzohydrazide
CID 684303
(E)-1-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-en-1-one
CID 126066588
4-methyl-N'-[(Z)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 5370777
3-methoxy-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 794857
1-(4-chlorophenyl)-3-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 54369733
(E)-3-(2,5-difluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 52643172

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide (CID 6033190) is 4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide is COc1cccc(C(=O)/C=C/NNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide?
The InChIKey is XLUPQQYCPVDOMA-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-23-15-4-2-3-13(11-15)16(21)9-10-19-20-17(22)12-5-7-14(18)8-6-12/h2-11,19H,1H3,(H,20,22)/b10-9+.
What are the key properties of 4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide?
4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide has a molecular weight of 330.77 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide is sourced from PubChem (CID 6033190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).