2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide

C18H19F3N2O3 — CID 119751737

IUPAC2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
SMILESNc1ccc(CC(=O)NCC(O)COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O3/c19-18(20,21)13-3-7-16(8-4-13)26-11-15(24)10-23-17(25)9-12-1-5-14(22)6-2-12/h1-8,15,24H,9-11,22H2,(H,23,25)
InChIKeyXJZJYFDDNNRWCH-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.39
Rot. Bonds7

About 2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide

2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide (PubChem CID 119751737) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
PubChem CID119751737
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
SMILESNc1ccc(CC(=O)NCC(O)COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O3/c19-18(20,21)13-3-7-16(8-4-13)26-11-15(24)10-23-17(25)9-12-1-5-14(22)6-2-12/h1-8,15,24H,9-11,22H2,(H,23,25)
InChIKeyXJZJYFDDNNRWCH-UHFFFAOYSA-N
XLogP2.39
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 60583885
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide
CID 94678499
2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
CID 120590377
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
CID 94678482
N-[(3S)-3-hydroxy-4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]butyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 138632795
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114308761

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide (CID 119751737) is 2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide is Nc1ccc(CC(=O)NCC(O)COc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
The InChIKey is XJZJYFDDNNRWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c19-18(20,21)13-3-7-16(8-4-13)26-11-15(24)10-23-17(25)9-12-1-5-14(22)6-2-12/h1-8,15,24H,9-11,22H2,(H,23,25).
What are the key properties of 2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide?
2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide has a molecular weight of 368.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide is sourced from PubChem (CID 119751737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).