N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide

C22H18Cl2N2O4 — CID 35929028

IUPACN'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N2O4/c1-29-20-12-15(8-11-19(20)30-13-14-6-9-16(23)10-7-14)21(27)25-26-22(28)17-4-2-3-5-18(17)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyBNSZQCQVINTHOQ-UHFFFAOYSA-N
MW445.30 g/mol
LogP4.66
Rot. Bonds6

About N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide

N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide (PubChem CID 35929028) has the molecular formula C22H18Cl2N2O4 and a molecular weight of 445.30 g/mol. Its IUPAC name is N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
PubChem CID35929028
Molecular FormulaC22H18Cl2N2O4
Molecular Weight445.30 g/mol
Exact Mass444.06
IUPAC NameN'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl2N2O4/c1-29-20-12-15(8-11-19(20)30-13-14-6-9-16(23)10-7-14)21(27)25-26-22(28)17-4-2-3-5-18(17)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyBNSZQCQVINTHOQ-UHFFFAOYSA-N
XLogP4.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.30
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841
2-chloro-N'-[4-[(4-chlorophenoxy)methyl]benzoyl]benzohydrazide
CID 24637056
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(2-oxopropyl)benzamide
CID 158622602
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
N'-(2-chlorobenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
CID 35930751
N'-(3-methoxy-4-phenylmethoxybenzoyl)-2-methylfuran-3-carbohydrazide
CID 9472683
4-[(4-chlorophenyl)methoxy]-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119509071
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 27678333
3-[[4-(4-chlorophenyl)phenyl]methoxy]-N-hydroxy-4-methoxybenzamide
CID 155530092

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide?
The IUPAC name of N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide (CID 35929028) is N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide.
What is the SMILES notation for N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide?
The canonical SMILES for N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide is COc1cc(C(=O)NNC(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide?
The InChIKey is BNSZQCQVINTHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O4/c1-29-20-12-15(8-11-19(20)30-13-14-6-9-16(23)10-7-14)21(27)25-26-22(28)17-4-2-3-5-18(17)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide?
N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide has a molecular weight of 445.30 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorobenzoyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzohydrazide is sourced from PubChem (CID 35929028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).