N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide

C25H28ClN3O3 — CID 71214567

IUPACN-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide
SMILESCCOc1ccc(C(=O)N(CCNN)Cc2ccc(Cl)cc2)c(OCc2ccccc2)c1
InChIInChI=1S/C25H28ClN3O3/c1-2-31-22-12-13-23(24(16-22)32-18-20-6-4-3-5-7-20)25(30)29(15-14-28-27)17-19-8-10-21(26)11-9-19/h3-13,16,28H,2,14-15,17-18,27H2,1H3
InChIKeyCJDQNYPXODBYPI-UHFFFAOYSA-N
MW453.97 g/mol
LogP4.42
Rot. Bonds11

About N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide

N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide (PubChem CID 71214567) has the molecular formula C25H28ClN3O3 and a molecular weight of 453.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide
PubChem CID71214567
Molecular FormulaC25H28ClN3O3
Molecular Weight453.97 g/mol
Exact Mass453.18
IUPAC NameN-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide
SMILESCCOc1ccc(C(=O)N(CCNN)Cc2ccc(Cl)cc2)c(OCc2ccccc2)c1
InChIInChI=1S/C25H28ClN3O3/c1-2-31-22-12-13-23(24(16-22)32-18-20-6-4-3-5-7-20)25(30)29(15-14-28-27)17-19-8-10-21(26)11-9-19/h3-13,16,28H,2,14-15,17-18,27H2,1H3
InChIKeyCJDQNYPXODBYPI-UHFFFAOYSA-N
XLogP4.42
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide
CID 71214624
methyl 4-[[ethoxycarbonyl-[(4-methoxycarbonyl-3-phenylmethoxyphenyl)methyl]amino]methyl]-2-phenylmethoxybenzoate
CID 22088372
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
methyl 4-[[3-aminopropyl-(2-phenylmethoxybenzoyl)amino]methyl]benzoate
CID 143404942
ethyl 3-[[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 66912851
2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 110076846
ethyl 3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 66912964
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
CID 143404934
N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701860
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
[4-[[benzyl-[2-(4-chlorophenoxy)acetyl]amino]methyl]phenyl] methanesulfonate
CID 4527269

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide (CID 71214567) is N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide is CCOc1ccc(C(=O)N(CCNN)Cc2ccc(Cl)cc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide?
The InChIKey is CJDQNYPXODBYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3/c1-2-31-22-12-13-23(24(16-22)32-18-20-6-4-3-5-7-20)25(30)29(15-14-28-27)17-19-8-10-21(26)11-9-19/h3-13,16,28H,2,14-15,17-18,27H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide?
N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide has a molecular weight of 453.97 g/mol, XLogP of 4.42, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-ethoxy-N-(2-hydrazinylethyl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 71214567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).