2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide

C19H21F2N3O2 — CID 135774397

IUPAC2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide
SMILESCCN(CC)c1ccc(/C=N/CC(=O)Nc2ccc(F)c(F)c2)c(O)c1
InChIInChI=1S/C19H21F2N3O2/c1-3-24(4-2)15-7-5-13(18(25)10-15)11-22-12-19(26)23-14-6-8-16(20)17(21)9-14/h5-11,25H,3-4,12H2,1-2H3,(H,23,26)/b22-11+
InChIKeyZAAKUMSRUBLODH-SSDVNMTOSA-N
MW361.39 g/mol
LogP3.57
Rot. Bonds7

About 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide

2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 135774397) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide
PubChem CID135774397
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide
SMILESCCN(CC)c1ccc(/C=N/CC(=O)Nc2ccc(F)c(F)c2)c(O)c1
InChIInChI=1S/C19H21F2N3O2/c1-3-24(4-2)15-7-5-13(18(25)10-15)11-22-12-19(26)23-14-6-8-16(20)17(21)9-14/h5-11,25H,3-4,12H2,1-2H3,(H,23,26)/b22-11+
InChIKeyZAAKUMSRUBLODH-SSDVNMTOSA-N
XLogP3.57
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide (CID 135774397) is 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide is CCN(CC)c1ccc(/C=N/CC(=O)Nc2ccc(F)c(F)c2)c(O)c1.
What is the InChIKey of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is ZAAKUMSRUBLODH-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-3-24(4-2)15-7-5-13(18(25)10-15)11-22-12-19(26)23-14-6-8-16(20)17(21)9-14/h5-11,25H,3-4,12H2,1-2H3,(H,23,26)/b22-11+.
What are the key properties of 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide?
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 361.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 135774397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).