4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide

C17H12ClF3N2O3 — CID 2741847

IUPAC4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide
SMILESO=C(C=Cc1ccc(OC(F)(F)F)cc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClF3N2O3/c18-13-6-4-12(5-7-13)16(25)23-22-15(24)10-3-11-1-8-14(9-2-11)26-17(19,20)21/h1-10H,(H,22,24)(H,23,25)
InChIKeyWBQGBUNUANBXDG-UHFFFAOYSA-N
MW384.74 g/mol
LogP3.71
Rot. Bonds4

About 4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide

4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide (PubChem CID 2741847) has the molecular formula C17H12ClF3N2O3 and a molecular weight of 384.74 g/mol. Its IUPAC name is 4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide
PubChem CID2741847
Molecular FormulaC17H12ClF3N2O3
Molecular Weight384.74 g/mol
Exact Mass384.05
IUPAC Name4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide
SMILESO=C(C=Cc1ccc(OC(F)(F)F)cc1)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H12ClF3N2O3/c18-13-6-4-12(5-7-13)16(25)23-22-15(24)10-3-11-1-8-14(9-2-11)26-17(19,20)21/h1-10H,(H,22,24)(H,23,25)
InChIKeyWBQGBUNUANBXDG-UHFFFAOYSA-N
XLogP3.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.74
LogP ≤ 53.71
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

(Z)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 22301767
3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 874226
4-chloro-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 959776
N'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-4-(3-methylbutoxy)benzohydrazide
CID 17195627
4-tert-butyl-N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]benzamide
CID 17195607
2,4-dichloro-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744744
N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]propanamide
CID 17195562
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
N'-[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-fluorobenzohydrazide
CID 7946032
N-[4-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 17195599
(E)-N-(4-fluoro-3-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 6041461
1-(4-iodophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 71834051

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide (CID 2741847) is 4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide is O=C(C=Cc1ccc(OC(F)(F)F)cc1)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide?
The InChIKey is WBQGBUNUANBXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O3/c18-13-6-4-12(5-7-13)16(25)23-22-15(24)10-3-11-1-8-14(9-2-11)26-17(19,20)21/h1-10H,(H,22,24)(H,23,25).
What are the key properties of 4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide?
4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide has a molecular weight of 384.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-[3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 2741847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).