2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide

C19H20ClF2N3O4 — CID 55435746

IUPAC2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide
SMILESCOc1cc(/C(N)=N/OC(C)C(=O)NCc2ccccc2Cl)ccc1OC(F)F
InChIInChI=1S/C19H20ClF2N3O4/c1-11(18(26)24-10-13-5-3-4-6-14(13)20)29-25-17(23)12-7-8-15(28-19(21)22)16(9-12)27-2/h3-9,11,19H,10H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeySUJQIAQDSUHZDL-UHFFFAOYSA-N
MW427.84 g/mol
LogP3.29
Rot. Bonds9

About 2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide

2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 55435746) has the molecular formula C19H20ClF2N3O4 and a molecular weight of 427.84 g/mol. Its IUPAC name is 2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID55435746
Molecular FormulaC19H20ClF2N3O4
Molecular Weight427.84 g/mol
Exact Mass427.11
IUPAC Name2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide
SMILESCOc1cc(/C(N)=N/OC(C)C(=O)NCc2ccccc2Cl)ccc1OC(F)F
InChIInChI=1S/C19H20ClF2N3O4/c1-11(18(26)24-10-13-5-3-4-6-14(13)20)29-25-17(23)12-7-8-15(28-19(21)22)16(9-12)27-2/h3-9,11,19H,10H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeySUJQIAQDSUHZDL-UHFFFAOYSA-N
XLogP3.29
TPSA95.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.84
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxypropanamide
CID 55365572
2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-(2,4,6-trimethylphenyl)propanamide
CID 55515599
4-(difluoromethoxy)-N'-[(2-fluorophenyl)methoxy]-3-methoxybenzenecarboximidamide
CID 95568429
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300954
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 18091472
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 9437289
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyphenoxy)propanamide
CID 9172784
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 19397712
3-(difluoromethoxy)-4-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 46492035
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)-3-methoxybenzoate
CID 40750965
2-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxy-N-[(2-chlorophenyl)methyl]propanamide
CID 24511825
N-[(2-chlorophenyl)methyl]-3-methoxy-N-methyl-4-propan-2-yloxybenzamide
CID 112790335

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide (CID 55435746) is 2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide is COc1cc(/C(N)=N/OC(C)C(=O)NCc2ccccc2Cl)ccc1OC(F)F.
What is the InChIKey of 2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is SUJQIAQDSUHZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O4/c1-11(18(26)24-10-13-5-3-4-6-14(13)20)29-25-17(23)12-7-8-15(28-19(21)22)16(9-12)27-2/h3-9,11,19H,10H2,1-2H3,(H2,23,25)(H,24,26).
What are the key properties of 2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide?
2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 427.84 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]amino]oxy-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 55435746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).