2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide

C20H25F3N4O2 — CID 143078945

IUPAC2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
SMILESCCCNc1c(OC)cc(CNc2ccccc2CC(N)=O)c(C(F)(F)F)c1N
InChIInChI=1S/C20H25F3N4O2/c1-3-8-26-19-15(29-2)9-13(17(18(19)25)20(21,22)23)11-27-14-7-5-4-6-12(14)10-16(24)28/h4-7,9,26-27H,3,8,10-11,25H2,1-2H3,(H2,24,28)
InChIKeyOGVPYRUPSSYXLK-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.76
Rot. Bonds9

About 2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide

2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide (PubChem CID 143078945) has the molecular formula C20H25F3N4O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
PubChem CID143078945
Molecular FormulaC20H25F3N4O2
Molecular Weight410.44 g/mol
Exact Mass410.19
IUPAC Name2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
SMILESCCCNc1c(OC)cc(CNc2ccccc2CC(N)=O)c(C(F)(F)F)c1N
InChIInChI=1S/C20H25F3N4O2/c1-3-8-26-19-15(29-2)9-13(17(18(19)25)20(21,22)23)11-27-14-7-5-4-6-12(14)10-16(24)28/h4-7,9,26-27H,3,8,10-11,25H2,1-2H3,(H2,24,28)
InChIKeyOGVPYRUPSSYXLK-UHFFFAOYSA-N
XLogP3.76
TPSA102.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
2-[2-(propylamino)phenyl]acetamide
CID 43738591
2-[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43789637
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]acetamide
CID 75431880
2-[2-[(2-chlorophenyl)methylamino]phenyl]acetamide
CID 43738427
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032
2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide
CID 61317267
2-[2-[(4-ethoxyphenyl)methylamino]phenyl]acetamide
CID 43738439
2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
CID 61015082
2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
CID 80700430
4-amino-3-[(2-methoxyphenyl)methylamino]benzamide
CID 63355954
3-amino-4-[(2-methoxyphenyl)methylamino]benzamide
CID 43448336

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide?
The IUPAC name of 2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide (CID 143078945) is 2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide?
The canonical SMILES for 2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide is CCCNc1c(OC)cc(CNc2ccccc2CC(N)=O)c(C(F)(F)F)c1N.
What is the InChIKey of 2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide?
The InChIKey is OGVPYRUPSSYXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O2/c1-3-8-26-19-15(29-2)9-13(17(18(19)25)20(21,22)23)11-27-14-7-5-4-6-12(14)10-16(24)28/h4-7,9,26-27H,3,8,10-11,25H2,1-2H3,(H2,24,28).
What are the key properties of 2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide?
2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide has a molecular weight of 410.44 g/mol, XLogP of 3.76, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-amino-5-methoxy-4-(propylamino)-2-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide is sourced from PubChem (CID 143078945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).