(Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium

C16H19ClN5O3+ — CID 143012687

IUPAC(Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium
SMILESCOc1ccc(Cl)cc1NC(=O)COc1cccc(/[N+](N)=C/NN)c1
InChIInChI=1S/C16H18ClN5O3/c1-24-15-6-5-11(17)7-14(15)21-16(23)9-25-13-4-2-3-12(8-13)22(19)10-20-18/h2-8,10H,9,18-19H2,1H3,(H,21,23)/p+1
InChIKeyVGMXJLJCKAJPSG-UHFFFAOYSA-O
MW364.81 g/mol
LogP1.38
Rot. Bonds7

About (Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium

(Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium (PubChem CID 143012687) has the molecular formula C16H19ClN5O3+ and a molecular weight of 364.81 g/mol. Its IUPAC name is (Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium.

Molecular Properties

Compound Name(Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium
PubChem CID143012687
Molecular FormulaC16H19ClN5O3+
Molecular Weight364.81 g/mol
Exact Mass364.12
IUPAC Name(Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium
SMILESCOc1ccc(Cl)cc1NC(=O)COc1cccc(/[N+](N)=C/NN)c1
InChIInChI=1S/C16H18ClN5O3/c1-24-15-6-5-11(17)7-14(15)21-16(23)9-25-13-4-2-3-12(8-13)22(19)10-20-18/h2-8,10H,9,18-19H2,1H3,(H,21,23)/p+1
InChIKeyVGMXJLJCKAJPSG-UHFFFAOYSA-O
XLogP1.38
TPSA114.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
N-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870278
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
N-(2,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 19204029
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)acetamide
CID 870474
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
N-(5-chloro-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406923
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758535

Frequently Asked Questions

What is the IUPAC name of (Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium?
The IUPAC name of (Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium (CID 143012687) is (Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium.
What is the SMILES notation for (Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium?
The canonical SMILES for (Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium is COc1ccc(Cl)cc1NC(=O)COc1cccc(/[N+](N)=C/NN)c1.
What is the InChIKey of (Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium?
The InChIKey is VGMXJLJCKAJPSG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18ClN5O3/c1-24-15-6-5-11(17)7-14(15)21-16(23)9-25-13-4-2-3-12(8-13)22(19)10-20-18/h2-8,10H,9,18-19H2,1H3,(H,21,23)/p+1.
What are the key properties of (Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium?
(Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium has a molecular weight of 364.81 g/mol, XLogP of 1.38, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-amino-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]-(hydrazinylmethylidene)azanium is sourced from PubChem (CID 143012687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).