2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide

C16H14ClF3N4O2 — CID 111028388

IUPAC2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(N/C(N)=N/CC(=O)Nc2ccc(F)c(F)c2F)cc1Cl
InChIInChI=1S/C16H14ClF3N4O2/c1-26-12-5-2-8(6-9(12)17)23-16(21)22-7-13(25)24-11-4-3-10(18)14(19)15(11)20/h2-6H,7H2,1H3,(H,24,25)(H3,21,22,23)
InChIKeySRHACDLIEOLGJW-UHFFFAOYSA-N
MW386.76 g/mol
LogP3.13
Rot. Bonds5

About 2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 111028388) has the molecular formula C16H14ClF3N4O2 and a molecular weight of 386.76 g/mol. Its IUPAC name is 2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID111028388
Molecular FormulaC16H14ClF3N4O2
Molecular Weight386.76 g/mol
Exact Mass386.08
IUPAC Name2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCOc1ccc(N/C(N)=N/CC(=O)Nc2ccc(F)c(F)c2F)cc1Cl
InChIInChI=1S/C16H14ClF3N4O2/c1-26-12-5-2-8(6-9(12)17)23-16(21)22-7-13(25)24-11-4-3-10(18)14(19)15(11)20/h2-6H,7H2,1H3,(H,24,25)(H3,21,22,23)
InChIKeySRHACDLIEOLGJW-UHFFFAOYSA-N
XLogP3.13
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089345
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111028356
1-(3-chloro-4-methoxyphenyl)-2-ethylguanidine
CID 62379243
1-(3-chloro-4-methoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111040302
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
CID 62379415
methyl 4-[[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]methyl]benzoate
CID 111024056
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine;hydroiodide
CID 110912605
N-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042989
2-(5-chloro-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109008882
2-butyl-1-(3-chloro-4-methoxyphenyl)guanidine;hydroiodide
CID 111023202
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3,4-dimethoxybenzoate
CID 2349931
1-(3-chloro-4-methoxyphenyl)-2-(2-cyclopropylethyl)guanidine
CID 119147887

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 111028388) is 2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide is COc1ccc(N/C(N)=N/CC(=O)Nc2ccc(F)c(F)c2F)cc1Cl.
What is the InChIKey of 2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is SRHACDLIEOLGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O2/c1-26-12-5-2-8(6-9(12)17)23-16(21)22-7-13(25)24-11-4-3-10(18)14(19)15(11)20/h2-6H,7H2,1H3,(H,24,25)(H3,21,22,23).
What are the key properties of 2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 386.76 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 111028388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).