N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide

C23H16Cl2F4N2O4 — CID 4049437

IUPACN'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccc(COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C23H16Cl2F4N2O4/c24-16-8-9-18(25)19(11-16)34-12-13-4-6-14(7-5-13)20(32)30-31-21(33)15-2-1-3-17(10-15)35-23(28,29)22(26)27/h1-11,22H,12H2,(H,30,32)(H,31,33)
InChIKeyUWZQNOTUVYUPJW-UHFFFAOYSA-N
MW531.29 g/mol
LogP5.88
Rot. Bonds8

About N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide

N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide (PubChem CID 4049437) has the molecular formula C23H16Cl2F4N2O4 and a molecular weight of 531.29 g/mol. Its IUPAC name is N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide
PubChem CID4049437
Molecular FormulaC23H16Cl2F4N2O4
Molecular Weight531.29 g/mol
Exact Mass530.04
IUPAC NameN'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccc(COc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C23H16Cl2F4N2O4/c24-16-8-9-18(25)19(11-16)34-12-13-4-6-14(7-5-13)20(32)30-31-21(33)15-2-1-3-17(10-15)35-23(28,29)22(26)27/h1-11,22H,12H2,(H,30,32)(H,31,33)
InChIKeyUWZQNOTUVYUPJW-UHFFFAOYSA-N
XLogP5.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.29
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-3-cyanobenzohydrazide
CID 7916431
3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 69070014
N'-benzoyl-4-[(4-chlorophenoxy)methyl]benzohydrazide
CID 4880251
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
CID 2288753
1-(3-methoxypropyl)-3-[[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]amino]thiourea
CID 4867020
2-[4-[(2,5-dichlorophenoxy)methyl]phenyl]acetic acid
CID 22684497
3-[(4-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 146154395
4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
3-(difluoromethoxy)-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187379
3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
CID 40614005
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide?
The IUPAC name of N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide (CID 4049437) is N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide.
What is the SMILES notation for N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide?
The canonical SMILES for N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide is O=C(NNC(=O)c1cccc(OC(F)(F)C(F)F)c1)c1ccc(COc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide?
The InChIKey is UWZQNOTUVYUPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2F4N2O4/c24-16-8-9-18(25)19(11-16)34-12-13-4-6-14(7-5-13)20(32)30-31-21(33)15-2-1-3-17(10-15)35-23(28,29)22(26)27/h1-11,22H,12H2,(H,30,32)(H,31,33).
What are the key properties of N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide?
N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide has a molecular weight of 531.29 g/mol, XLogP of 5.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(2,5-dichlorophenoxy)methyl]benzoyl]-3-(1,1,2,2-tetrafluoroethoxy)benzohydrazide is sourced from PubChem (CID 4049437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).