2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide

C22H20FN3O2 — CID 71483949

IUPAC2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide
SMILESNc1ccccc1NC(=O)Cc1cccc(CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C22H20FN3O2/c23-17-7-4-8-18(14-17)25-21(27)12-15-5-3-6-16(11-15)13-22(28)26-20-10-2-1-9-19(20)24/h1-11,14H,12-13,24H2,(H,25,27)(H,26,28)
InChIKeyOWYYNOPZLXBNJJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.77
Rot. Bonds6

About 2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide

2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide (PubChem CID 71483949) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide
PubChem CID71483949
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide
SMILESNc1ccccc1NC(=O)Cc1cccc(CC(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C22H20FN3O2/c23-17-7-4-8-18(14-17)25-21(27)12-15-5-3-6-16(11-15)13-22(28)26-20-10-2-1-9-19(20)24/h1-11,14H,12-13,24H2,(H,25,27)(H,26,28)
InChIKeyOWYYNOPZLXBNJJ-UHFFFAOYSA-N
XLogP3.77
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262
N-(2-amino-4-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 43259058
[2-(3-fluoroanilino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8589788
N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 104757005
2-(3-fluorophenyl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 24525372
N-(2-aminophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045267
N'-[4-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-phenylhexanediamide
CID 134533298
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
2-(3-fluorophenyl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64793447
2-[3-(aminomethyl)phenyl]-N-phenylacetamide
CID 154574877
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38324619
2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide (CID 71483949) is 2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide is Nc1ccccc1NC(=O)Cc1cccc(CC(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of 2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide?
The InChIKey is OWYYNOPZLXBNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-17-7-4-8-18(14-17)25-21(27)12-15-5-3-6-16(11-15)13-22(28)26-20-10-2-1-9-19(20)24/h1-11,14H,12-13,24H2,(H,25,27)(H,26,28).
What are the key properties of 2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide?
2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide has a molecular weight of 377.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2-aminoanilino)-2-oxoethyl]phenyl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 71483949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).